MiMeDB: Showing metabocard for Cytoglobosin I (MMDBc0023064)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-05-15 13:06:34 UTC

Update Date

2025-10-07 16:07:16 UTC

Metabolite ID

MMDBc0023064

Metabolite Identification

Common Name

Cytoglobosin I

Description

Cytoglobosin I is a member of the chemical class of metabolites. There is limited literature available on this metabolite, indicating a need for further research to better understand its properties and potential biological significance.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305152115062D          

 50 54  0  0  1  0            999 V2000
    4.4173   -3.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0470   -2.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7667   -1.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2001   -3.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5771    1.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5217    2.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2510   -3.6128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9916   -3.9763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8919    0.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1956   -2.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7811    2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1516   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3285   -0.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6213   -2.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1840    0.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1430    1.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6767   -3.5168    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3065   -2.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0261   -1.6989    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3857    0.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1514    1.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4550   -2.4261    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0959    2.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7760   -0.4227    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4587   -0.9783    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2413   -1.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6590   -1.2394    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2510   -1.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7699   -2.8856    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9742   -1.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0293   -2.5221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3996   -1.6029    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2960    2.2838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5888   -0.2815    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1852   -1.5938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8116   -1.5281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9460   -0.9664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8253   -3.7088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7909   -1.1279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7909   -2.4337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5659   -4.0723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8808   -2.3301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9362   -3.1532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7322   -4.3399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0815   -0.8758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1402   -1.9665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0192    0.3656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0755   -0.4305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5105   -3.2492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  2  0  0  0  0
 11  6  1  0  0  0  0
 13 12  1  0  0  0  0
 17  1  1  1  0  0  0
 17  8  1  0  0  0  0
 17 14  1  0  0  0  0
 18  2  1  0  0  0  0
 18 14  2  0  0  0  0
 19  3  1  1  0  0  0
 20 15  1  0  0  0  0
 20 16  2  0  0  0  0
 21  9  2  0  0  0  0
 21 20  1  0  0  0  0
 22 10  1  0  0  0  0
 23 11  2  0  0  0  0
 23 21  1  0  0  0  0
 24 15  1  6  0  0  0
 25 12  1  0  0  0  0
 26 13  1  0  0  0  0
 27 19  1  0  0  0  0
 27 24  1  0  0  0  0
 28 18  1  0  0  0  0
 28 25  1  0  0  0  0
 29 22  1  0  0  0  0
 31  4  1  1  0  0  0
 31 19  1  0  0  0  0
 31 29  1  0  0  0  0
 32 22  1  0  0  0  0
 32 26  1  0  0  0  0
 32 27  1  0  0  0  0
 32 30  1  1  0  0  0
 33 16  1  0  0  0  0
 33 23  1  0  0  0  0
 34 24  1  0  0  0  0
 34 30  2  0  0  0  0
 25 35  1  1  0  0  0
 36 26  2  0  0  0  0
 37 28  2  0  0  0  0
 29 38  1  6  0  0  0
 39 30  1  0  0  0  0
 31 40  1  6  0  0  0
 41  7  1  0  0  0  0
 42 10  1  0  0  0  0
 43 14  1  0  0  0  0
 17 44  1  6  0  0  0
 19 45  1  6  0  0  0
 22 46  1  6  0  0  0
 24 47  1  1  0  0  0
 25 48  1  1  0  0  0
 27 49  1  6  0  0  0
 29 50  1  1  0  0  0
M  END


  Mrv1652305152115062D          

 50 54  0  0  1  0            999 V2000
    4.4173   -3.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0470   -2.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7667   -1.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2001   -3.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5771    1.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5217    2.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2510   -3.6128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9916   -3.9763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8919    0.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1956   -2.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7811    2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1516   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3285   -0.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6213   -2.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1840    0.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1430    1.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6767   -3.5168    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3065   -2.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0261   -1.6989    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3857    0.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1514    1.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4550   -2.4261    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0959    2.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7760   -0.4227    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4587   -0.9783    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2413   -1.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6590   -1.2394    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2510   -1.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7699   -2.8856    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9742   -1.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0293   -2.5221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3996   -1.6029    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2960    2.2838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5888   -0.2815    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1852   -1.5938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8116   -1.5281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9460   -0.9664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8253   -3.7088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7909   -1.1279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7909   -2.4337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5659   -4.0723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8808   -2.3301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9362   -3.1532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7322   -4.3399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0815   -0.8758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1402   -1.9665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0192    0.3656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0755   -0.4305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5105   -3.2492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  2  0  0  0  0
 11  6  1  0  0  0  0
 13 12  1  0  0  0  0
 17  1  1  1  0  0  0
 17  8  1  0  0  0  0
 17 14  1  0  0  0  0
 18  2  1  0  0  0  0
 18 14  2  0  0  0  0
 19  3  1  1  0  0  0
 20 15  1  0  0  0  0
 20 16  2  0  0  0  0
 21  9  2  0  0  0  0
 21 20  1  0  0  0  0
 22 10  1  0  0  0  0
 23 11  2  0  0  0  0
 23 21  1  0  0  0  0
 24 15  1  6  0  0  0
 25 12  1  0  0  0  0
 26 13  1  0  0  0  0
 27 19  1  0  0  0  0
 27 24  1  0  0  0  0
 28 18  1  0  0  0  0
 28 25  1  0  0  0  0
 29 22  1  0  0  0  0
 31  4  1  1  0  0  0
 31 19  1  0  0  0  0
 31 29  1  0  0  0  0
 32 22  1  0  0  0  0
 32 26  1  0  0  0  0
 32 27  1  0  0  0  0
 32 30  1  1  0  0  0
 33 16  1  0  0  0  0
 33 23  1  0  0  0  0
 34 24  1  0  0  0  0
 34 30  2  0  0  0  0
 25 35  1  1  0  0  0
 36 26  2  0  0  0  0
 37 28  2  0  0  0  0
 29 38  1  6  0  0  0
 39 30  1  0  0  0  0
 31 40  1  6  0  0  0
 41  7  1  0  0  0  0
 42 10  1  0  0  0  0
 43 14  1  0  0  0  0
 17 44  1  6  0  0  0
 19 45  1  6  0  0  0
 22 46  1  6  0  0  0
 24 47  1  1  0  0  0
 25 48  1  1  0  0  0
 27 49  1  6  0  0  0
 29 50  1  1  0  0  0
M  END
> <DATABASE_ID>
MMDBc0023064

> <DATABASE_NAME>
MIME

> <SMILES>
[H]\C1=C([H])/[C@@]2([H])[C@]([H])(O)[C@](C)(O)[C@@]([H])(C)[C@@]3([H])[C@]([H])(CC4=CNC5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@]([H])(O)C(=O)C(C)=C([H])[C@@]([H])(C)C1

> <INCHI_IDENTIFIER>
InChI=1S/C32H40N2O6/c1-17-8-7-10-22-29(38)31(4,40)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(39)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-11,14,16-17,19,22,24-25,27,29,33,35,38,40H,8,12-13,15H2,1-4H3,(H,34,39)/b10-7+,18-14+/t17-,19-,22-,24-,25+,27-,29-,31+,32+/m0/s1

> <INCHI_KEY>
RDGPYVKATNNNKN-DNGZFULMSA-N

> <FORMULA>
C32H40N2O6

> <MOLECULAR_WEIGHT>
548.68

> <EXACT_MASS>
548.288637016

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_POLARIZABILITY>
59.60148535977879

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3S,4S,5R,6S,6aR,10S,14R,17aS,17bR)-1,5,6,14-tetrahydroxy-3-[(1H-indol-3-yl)methyl]-4,5,10,12-tetramethyl-3H,4H,5H,6H,6aH,9H,10H,13H,14H,15H,16H,17H,17bH-cyclotrideca[e]isoindole-13,17-dione

> <ALOGPS_LOGP>
3.08

> <JCHEM_LOGP>
2.84747870843084

> <ALOGPS_LOGS>
-4.48

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.120873043824389

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.786919606007191

> <JCHEM_PKA_STRONGEST_BASIC>
5.451049593540291

> <JCHEM_POLAR_SURFACE_AREA>
143.20999999999998

> <JCHEM_REFRACTIVITY>
154.01240000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.81e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3S,4S,5R,6S,6aR,10S,14R,17aS,17bR)-1,5,6,14-tetrahydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3H,4H,6H,6aH,9H,10H,14H,15H,16H,17bH-cyclotrideca[e]isoindole-13,17-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 15-MAY-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-MAY-21         0                                  
HETATM    1  C   UNK     0       8.246  -7.243   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.421  -4.849   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.431  -2.493   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.374  -6.187   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.811   2.529   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.707   4.066   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.202  -6.744   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.584  -7.423   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.532   1.671   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.098  -5.207   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.325   4.744   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.883  -0.397   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.346  -0.500   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.760  -5.028   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.343   0.284   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.267   2.959   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.863  -6.565   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.039  -4.170   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.049  -3.171   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.720   1.777   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.149   2.350   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.716  -4.529   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.046   3.887   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.448  -0.789   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.456  -1.826   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.184  -2.036   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.230  -2.313   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       7.935  -2.634   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.437  -5.387   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.685  -1.887   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       0.055  -4.708   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       2.613  -2.992   0.000  0.00  0.00           C+0
HETATM   33  N   UNK     0       0.552   4.263   0.000  0.00  0.00           N+0
HETATM   34  N   UNK     0       2.966  -0.526   0.000  0.00  0.00           N+0
HETATM   35  O   UNK     0       5.946  -2.975   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       5.248  -2.853   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       9.233  -1.804   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       1.541  -6.923   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       5.210  -2.105   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      -1.476  -4.543   0.000  0.00  0.00           O+0
HETATM   41  H   UNK     0       2.923  -7.602   0.000  0.00  0.00           H+0
HETATM   42  H   UNK     0       5.377  -4.349   0.000  0.00  0.00           H+0
HETATM   43  H   UNK     0       5.481  -5.886   0.000  0.00  0.00           H+0
HETATM   44  H   UNK     0       6.967  -8.101   0.000  0.00  0.00           H+0
HETATM   45  H   UNK     0      -0.152  -1.635   0.000  0.00  0.00           H+0
HETATM   46  H   UNK     0       3.995  -3.671   0.000  0.00  0.00           H+0
HETATM   47  H   UNK     0       1.903   0.683   0.000  0.00  0.00           H+0
HETATM   48  H   UNK     0       7.608  -0.804   0.000  0.00  0.00           H+0
HETATM   49  H   UNK     0       1.334  -3.850   0.000  0.00  0.00           H+0
HETATM   50  H   UNK     0       2.820  -6.065   0.000  0.00  0.00           H+0
CONECT    1   17                                                            
CONECT    2   18                                                            
CONECT    3   19                                                            
CONECT    4   31                                                            
CONECT    5    6    9                                                       
CONECT    6    5   11                                                       
CONECT    7    8   10   41                                                  
CONECT    8    7   17                                                       
CONECT    9    5   21                                                       
CONECT   10    7   22   42                                                  
CONECT   11    6   23                                                       
CONECT   12   13   25                                                       
CONECT   13   12   26                                                       
CONECT   14   17   18   43                                                  
CONECT   15   20   24                                                       
CONECT   16   20   33                                                       
CONECT   17    1    8   14   44                                             
CONECT   18    2   14   28                                                  
CONECT   19    3   27   31   45                                             
CONECT   20   15   16   21                                                  
CONECT   21    9   20   23                                                  
CONECT   22   10   29   32   46                                             
CONECT   23   11   21   33                                                  
CONECT   24   15   27   34   47                                             
CONECT   25   12   28   35   48                                             
CONECT   26   13   32   36                                                  
CONECT   27   19   24   32   49                                             
CONECT   28   18   25   37                                                  
CONECT   29   22   31   38   50                                             
CONECT   30   32   34   39                                                  
CONECT   31    4   19   29   40                                             
CONECT   32   22   26   27   30                                             
CONECT   33   16   23                                                       
CONECT   34   24   30                                                       
CONECT   35   25                                                            
CONECT   36   26                                                            
CONECT   37   28                                                            
CONECT   38   29                                                            
CONECT   39   30                                                            
CONECT   40   31                                                            
CONECT   41    7                                                            
CONECT   42   10                                                            
CONECT   43   14                                                            
CONECT   44   17                                                            
CONECT   45   19                                                            
CONECT   46   22                                                            
CONECT   47   24                                                            
CONECT   48   25                                                            
CONECT   49   27                                                            
CONECT   50   29                                                            
MASTER        0    0    0    0    0    0    0    0   50    0  108    0
END

Synonyms

Not Available

Molecular Formula

C₃₂H₄₀N₂O₆

Average Mass

548.68

Monoisotopic Mass

548.288637016

IUPAC Name

(3S,4S,5R,6S,6aR,10S,14R,17aS,17bR)-1,5,6,14-tetrahydroxy-3-[(1H-indol-3-yl)methyl]-4,5,10,12-tetramethyl-3H,4H,5H,6H,6aH,9H,10H,13H,14H,15H,16H,17H,17bH-cyclotrideca[e]isoindole-13,17-dione

Traditional Name

(3S,4S,5R,6S,6aR,10S,14R,17aS,17bR)-1,5,6,14-tetrahydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3H,4H,6H,6aH,9H,10H,14H,15H,16H,17bH-cyclotrideca[e]isoindole-13,17-dione

CAS Registry Number

Not Available

SMILES

[H]\C1=C([H])/[C@@]2([H])[C@]([H])(O)[C@](C)(O)[C@@]([H])(C)[C@@]3([H])[C@]([H])(CC4=CNC5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@]([H])(O)C(=O)C(C)=C([H])[C@@]([H])(C)C1

InChI Identifier

InChI=1S/C32H40N2O6/c1-17-8-7-10-22-29(38)31(4,40)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(39)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-11,14,16-17,19,22,24-25,27,29,33,35,38,40H,8,12-13,15H2,1-4H3,(H,34,39)/b10-7+,18-14+/t17-,19-,22-,24-,25+,27-,29-,31+,32+/m0/s1

InChI Key

RDGPYVKATNNNKN-DNGZFULMSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 3-alkylindoles. 3-Alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Indoles

Direct Parent

3-alkylindoles

Alternative Parents

Substituents

3-alkylindole
Isoindole or derivatives
Isoindole
Benzenoid
Substituted pyrrole
Heteroaromatic compound
Cyclic carboximidic acid
Tertiary alcohol
Pyrroline
Pyrrole
Cyclic alcohol
Cyclic ketone
Secondary alcohol
Ketone
Azacycle
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Polyol
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.018 g/L	ALOGPS
logP	3.08	ALOGPS
logP	2.85	ChemAxon
logS	-4.5	ALOGPS
pKa (Strongest Acidic)	2.79	ChemAxon
pKa (Strongest Basic)	5.45	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	143.21 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	154.01 m³·mol⁻¹	ChemAxon
Polarizability	59.6 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_4_10) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	Not Available	2022-08-10	View Spectrum
MS	Mass Spectrum (Electron Ionization)	Not Available	2022-08-06	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-18	View Spectrum

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (void)	2025-10-23	122.4
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (void)	2025-10-23	60.3
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-23	606.0
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	469.6
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	569.4
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	164.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	2979.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (void)	2025-10-23	82.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	285.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	368.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (void)	2025-10-23	115.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	162.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	201.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (void)	2025-10-23	8.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	209.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	174.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	434.8
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	1468.6
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	1153.4

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Cytoglobosin I_TMS_1	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@H](O)C1=O	standard non polar	2025-10-23	1777.52
Gas Chromatography	Cytoglobosin I_TMS_2	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@H](O)C1=O	standard non polar	2025-10-23	1927.29
Gas Chromatography	Cytoglobosin I_TMS_3	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CC[C@@H](O)C1=O	standard non polar	2025-10-23	1759.82
Gas Chromatography	Cytoglobosin I_TMS_4	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@H](O[Si](C)(C)C)C1=O	standard non polar	2025-10-23	2057.17
Gas Chromatography	Cytoglobosin I_TMS_5	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1119.22
Gas Chromatography	Cytoglobosin I_TMS_6	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O)C1=O	standard non polar	2025-10-23	1155.55
Gas Chromatography	Cytoglobosin I_TMS_7	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@H](O)C1=O	standard non polar	2025-10-23	2080.55
Gas Chromatography	Cytoglobosin I_TMS_8	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@H](O)C1=O	standard non polar	2025-10-23	2323.8
Gas Chromatography	Cytoglobosin I_TMS_9	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CC[C@@H](O)C1=O	standard non polar	2025-10-23	2772.07
Gas Chromatography	Cytoglobosin I_TMS_10	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@H](O[Si](C)(C)C)C1=O	standard non polar	2025-10-23	1432.65
Gas Chromatography	Cytoglobosin I_TMS_11	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1690.93
Gas Chromatography	Cytoglobosin I_TMS_12	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O)C1=O	standard non polar	2025-10-23	1772.84
Gas Chromatography	Cytoglobosin I_TMS_13	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@H](O)C1=O	standard non polar	2025-10-23	2213.69
Gas Chromatography	Cytoglobosin I_TMS_14	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CC[C@@H](O)C1=O	standard non polar	2025-10-23	1715.97
Gas Chromatography	Cytoglobosin I_TMS_15	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@H](O[Si](C)(C)C)C1=O	standard non polar	2025-10-23	2565.07
Gas Chromatography	Cytoglobosin I_TMS_16	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2407.89
Gas Chromatography	Cytoglobosin I_TMS_17	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O)C1=O	standard non polar	2025-10-23	2257.21
Gas Chromatography	Cytoglobosin I_TMS_18	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@H](O)C1=O	standard non polar	2025-10-23	2361.04
Gas Chromatography	Cytoglobosin I_TMS_19	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CC[C@@H](O[Si](C)(C)C)C1=O	standard non polar	2025-10-23	1579.87
Gas Chromatography	Cytoglobosin I_TMS_20	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CCC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2790.64
Gas Chromatography	Cytoglobosin I_TMS_21	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O)C1=O	standard non polar	2025-10-23	1822.9
Gas Chromatography	Cytoglobosin I_TMS_22	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CC[C@@H](O)C1=O	standard non polar	2025-10-23	446.08
Gas Chromatography	Cytoglobosin I_TMS_23	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1322.93
Gas Chromatography	Cytoglobosin I_TMS_24	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O[Si](C)(C)C)C1=O	standard non polar	2025-10-23	833.886
Gas Chromatography	Cytoglobosin I_TMS_25	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@H](O[Si](C)(C)C)C1=O	standard non polar	2025-10-23	1684.59
Gas Chromatography	Cytoglobosin I_TMS_26	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CCC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2502.33
Gas Chromatography	Cytoglobosin I_TMS_27	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2980.2
Gas Chromatography	Cytoglobosin I_TMS_28	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O)C1=O	standard non polar	2025-10-23	1488.99
Gas Chromatography	Cytoglobosin I_TMS_29	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CC[C@@H](O)C1=O	standard non polar	2025-10-23	2640.47
Gas Chromatography	Cytoglobosin I_TMS_30	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@H](O[Si](C)(C)C)C1=O	standard non polar	2025-10-23	2229.24
Gas Chromatography	Cytoglobosin I_TMS_31	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1802.42
Gas Chromatography	Cytoglobosin I_TMS_32	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O)C1=O	standard non polar	2025-10-23	660.041
Gas Chromatography	Cytoglobosin I_TMS_33	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@H](O)C1=O	standard non polar	2025-10-23	1195.75
Gas Chromatography	Cytoglobosin I_TMS_34	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CC[C@@H](O[Si](C)(C)C)C1=O	standard non polar	2025-10-23	1809.44
Gas Chromatography	Cytoglobosin I_TMS_35	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CCC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1318.84
Gas Chromatography	Cytoglobosin I_TMS_36	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O)C1=O	standard non polar	2025-10-23	1599.89
Gas Chromatography	Cytoglobosin I_TMS_37	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CC[C@@H](O)C1=O	standard non polar	2025-10-23	2926.35
Gas Chromatography	Cytoglobosin I_TMS_38	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	816.116
Gas Chromatography	Cytoglobosin I_TMS_39	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O[Si](C)(C)C)C1=O	standard non polar	2025-10-23	2295.56
Gas Chromatography	Cytoglobosin I_TMS_40	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@H](O[Si](C)(C)C)C1=O	standard non polar	2025-10-23	2417.16
Gas Chromatography	Cytoglobosin I_TMS_41	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CCC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2145.77
Gas Chromatography	Cytoglobosin I_TMS_42	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1222.73
Gas Chromatography	Cytoglobosin I_TMS_43	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O)C1=O	standard non polar	2025-10-23	2885.21
Gas Chromatography	Cytoglobosin I_TMS_44	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CC[C@@H](O[Si](C)(C)C)C1=O	standard non polar	2025-10-23	351.571
Gas Chromatography	Cytoglobosin I_TMS_45	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CCC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2790.28
Gas Chromatography	Cytoglobosin I_TMS_46	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O)C1=O	standard non polar	2025-10-23	1049.98
Gas Chromatography	Cytoglobosin I_TMS_47	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CC[C@@H](O)C1=O	standard non polar	2025-10-23	2186.7
Gas Chromatography	Cytoglobosin I_TMS_48	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2567.3
Gas Chromatography	Cytoglobosin I_TMS_49	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O[Si](C)(C)C)C1=O	standard non polar	2025-10-23	1439.69
Gas Chromatography	Cytoglobosin I_TMS_50	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@H](O[Si](C)(C)C)C1=O	standard non polar	2025-10-23	942.652
Gas Chromatography	Cytoglobosin I_TMS_51	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CCC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1851.3
Gas Chromatography	Cytoglobosin I_TMS_52	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2787.8
Gas Chromatography	Cytoglobosin I_TMS_53	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O)C1=O	standard non polar	2025-10-23	1923.89
Gas Chromatography	Cytoglobosin I_TMS_54	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1749.25
Gas Chromatography	Cytoglobosin I_TMS_55	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O[Si](C)(C)C)C1=O	standard non polar	2025-10-23	434.89
Gas Chromatography	Cytoglobosin I_TMS_56	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CC[C@@H](O[Si](C)(C)C)C1=O	standard non polar	2025-10-23	1405.19
Gas Chromatography	Cytoglobosin I_TMS_57	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CCC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	3063.27
Gas Chromatography	Cytoglobosin I_TMS_58	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CCC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2722.45
Gas Chromatography	Cytoglobosin I_TMS_59	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O)C1=O	standard non polar	2025-10-23	1963.33
Gas Chromatography	Cytoglobosin I_TMS_60	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2428.34
Gas Chromatography	Cytoglobosin I_TMS_61	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1496.18
Gas Chromatography	Cytoglobosin I_TMS_62	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O[Si](C)(C)C)C1=O	standard non polar	2025-10-23	2487.27
Gas Chromatography	Cytoglobosin I_TMS_63	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CCC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1571.47
Gas Chromatography	Cytoglobosin I_TMS_64	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CC[C@@H](O[Si](C)(C)C)C1=O	standard non polar	2025-10-23	2157.66
Gas Chromatography	Cytoglobosin I_TMS_65	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CCC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1708.51
Gas Chromatography	Cytoglobosin I_TMS_66	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O)C1=O	standard non polar	2025-10-23	1475.81
Gas Chromatography	Cytoglobosin I_TMS_67	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CC[C@@H](O)C1=O	standard non polar	2025-10-23	3317.46
Gas Chromatography	Cytoglobosin I_TMS_68	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	3050.93
Gas Chromatography	Cytoglobosin I_TMS_69	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O[Si](C)(C)C)C1=O	standard non polar	2025-10-23	4139.02
Gas Chromatography	Cytoglobosin I_TMS_70	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@H](O[Si](C)(C)C)C1=O	standard non polar	2025-10-23	3079.85
Gas Chromatography	Cytoglobosin I_TMS_71	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CCC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2501.58
Gas Chromatography	Cytoglobosin I_TMS_72	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1808.78
Gas Chromatography	Cytoglobosin I_TMS_73	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O)C1=O	standard non polar	2025-10-23	3123.34
Gas Chromatography	Cytoglobosin I_TMS_74	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	-68.7363
Gas Chromatography	Cytoglobosin I_TMS_75	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O[Si](C)(C)C)C1=O	standard non polar	2025-10-23	1507.78
Gas Chromatography	Cytoglobosin I_TMS_76	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CC[C@@H](O[Si](C)(C)C)C1=O	standard non polar	2025-10-23	1746.29
Gas Chromatography	Cytoglobosin I_TMS_77	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CCC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	832.052
Gas Chromatography	Cytoglobosin I_TMS_78	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CCC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1476.88
Gas Chromatography	Cytoglobosin I_TMS_79	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O)C1=O	standard non polar	2025-10-23	1603.47
Gas Chromatography	Cytoglobosin I_TMS_80	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1761.26
Gas Chromatography	Cytoglobosin I_TMS_81	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	3417.02
Gas Chromatography	Cytoglobosin I_TMS_82	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O[Si](C)(C)C)C1=O	standard non polar	2025-10-23	2230.1
Gas Chromatography	Cytoglobosin I_TMS_83	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CCC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1191.0
Gas Chromatography	Cytoglobosin I_TMS_84	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1306.87
Gas Chromatography	Cytoglobosin I_TMS_85	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O[Si](C)(C)C)C1=O	standard non polar	2025-10-23	3018.47
Gas Chromatography	Cytoglobosin I_TMS_86	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CC[C@@H](O[Si](C)(C)C)C1=O	standard non polar	2025-10-23	1210.68
Gas Chromatography	Cytoglobosin I_TMS_87	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CCC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1465.82
Gas Chromatography	Cytoglobosin I_TMS_88	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CCC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	735.634
Gas Chromatography	Cytoglobosin I_TMS_89	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O)C1=O	standard non polar	2025-10-23	2810.4
Gas Chromatography	Cytoglobosin I_TMS_90	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1416.73
Gas Chromatography	Cytoglobosin I_TMS_91	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2495.76
Gas Chromatography	Cytoglobosin I_TMS_92	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O[Si](C)(C)C)C1=O	standard non polar	2025-10-23	2540.83
Gas Chromatography	Cytoglobosin I_TMS_93	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CCC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2148.09
Gas Chromatography	Cytoglobosin I_TMS_94	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1212.81
Gas Chromatography	Cytoglobosin I_TMS_95	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	3863.65
Gas Chromatography	Cytoglobosin I_TMS_96	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O[Si](C)(C)C)C1=O	standard non polar	2025-10-23	5063.33
Gas Chromatography	Cytoglobosin I_TMS_97	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CCC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	3283.45
Gas Chromatography	Cytoglobosin I_TMS_98	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2052.3
Gas Chromatography	Cytoglobosin I_TMS_1	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@H](O)C1=O	standard polar	2025-10-23	2028.63
Gas Chromatography	Cytoglobosin I_TMS_2	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@H](O)C1=O	standard polar	2025-10-23	2879.95
Gas Chromatography	Cytoglobosin I_TMS_3	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CC[C@@H](O)C1=O	standard polar	2025-10-23	1322.52
Gas Chromatography	Cytoglobosin I_TMS_4	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@H](O[Si](C)(C)C)C1=O	standard polar	2025-10-23	1782.89
Gas Chromatography	Cytoglobosin I_TMS_5	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	1328.77
Gas Chromatography	Cytoglobosin I_TMS_6	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O)C1=O	standard polar	2025-10-23	2088.47
Gas Chromatography	Cytoglobosin I_TMS_7	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@H](O)C1=O	standard polar	2025-10-23	1872.52
Gas Chromatography	Cytoglobosin I_TMS_8	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@H](O)C1=O	standard polar	2025-10-23	1599.42
Gas Chromatography	Cytoglobosin I_TMS_9	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CC[C@@H](O)C1=O	standard polar	2025-10-23	2162.24
Gas Chromatography	Cytoglobosin I_TMS_10	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@H](O[Si](C)(C)C)C1=O	standard polar	2025-10-23	2499.66
Gas Chromatography	Cytoglobosin I_TMS_11	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	2939.52
Gas Chromatography	Cytoglobosin I_TMS_12	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O)C1=O	standard polar	2025-10-23	1998.66
Gas Chromatography	Cytoglobosin I_TMS_13	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@H](O)C1=O	standard polar	2025-10-23	1512.44
Gas Chromatography	Cytoglobosin I_TMS_14	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CC[C@@H](O)C1=O	standard polar	2025-10-23	1270.83
Gas Chromatography	Cytoglobosin I_TMS_15	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@H](O[Si](C)(C)C)C1=O	standard polar	2025-10-23	2612.75
Gas Chromatography	Cytoglobosin I_TMS_16	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	777.068
Gas Chromatography	Cytoglobosin I_TMS_17	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O)C1=O	standard polar	2025-10-23	3391.06
Gas Chromatography	Cytoglobosin I_TMS_18	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@H](O)C1=O	standard polar	2025-10-23	2106.19
Gas Chromatography	Cytoglobosin I_TMS_19	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CC[C@@H](O[Si](C)(C)C)C1=O	standard polar	2025-10-23	1700.67
Gas Chromatography	Cytoglobosin I_TMS_20	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CCC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	1691.49
Gas Chromatography	Cytoglobosin I_TMS_21	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O)C1=O	standard polar	2025-10-23	2600.88
Gas Chromatography	Cytoglobosin I_TMS_22	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CC[C@@H](O)C1=O	standard polar	2025-10-23	1250.33
Gas Chromatography	Cytoglobosin I_TMS_23	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	1179.6
Gas Chromatography	Cytoglobosin I_TMS_24	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O[Si](C)(C)C)C1=O	standard polar	2025-10-23	2721.12
Gas Chromatography	Cytoglobosin I_TMS_25	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@H](O[Si](C)(C)C)C1=O	standard polar	2025-10-23	2299.74
Gas Chromatography	Cytoglobosin I_TMS_26	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CCC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	3748.03
Gas Chromatography	Cytoglobosin I_TMS_27	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	2443.93
Gas Chromatography	Cytoglobosin I_TMS_28	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O)C1=O	standard polar	2025-10-23	1654.13
Gas Chromatography	Cytoglobosin I_TMS_29	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CC[C@@H](O)C1=O	standard polar	2025-10-23	1206.7
Gas Chromatography	Cytoglobosin I_TMS_30	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@H](O[Si](C)(C)C)C1=O	standard polar	2025-10-23	2393.22
Gas Chromatography	Cytoglobosin I_TMS_31	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	1305.57
Gas Chromatography	Cytoglobosin I_TMS_32	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O)C1=O	standard polar	2025-10-23	3291.07
Gas Chromatography	Cytoglobosin I_TMS_33	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@H](O)C1=O	standard polar	2025-10-23	3084.79
Gas Chromatography	Cytoglobosin I_TMS_34	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CC[C@@H](O[Si](C)(C)C)C1=O	standard polar	2025-10-23	1185.28
Gas Chromatography	Cytoglobosin I_TMS_35	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CCC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	1698.49
Gas Chromatography	Cytoglobosin I_TMS_36	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O)C1=O	standard polar	2025-10-23	1927.23
Gas Chromatography	Cytoglobosin I_TMS_37	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CC[C@@H](O)C1=O	standard polar	2025-10-23	2709.51
Gas Chromatography	Cytoglobosin I_TMS_38	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	3014.85
Gas Chromatography	Cytoglobosin I_TMS_39	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O[Si](C)(C)C)C1=O	standard polar	2025-10-23	1254.22
Gas Chromatography	Cytoglobosin I_TMS_40	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@H](O[Si](C)(C)C)C1=O	standard polar	2025-10-23	3052.32
Gas Chromatography	Cytoglobosin I_TMS_41	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CCC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	2325.56
Gas Chromatography	Cytoglobosin I_TMS_42	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	1173.42
Gas Chromatography	Cytoglobosin I_TMS_43	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O)C1=O	standard polar	2025-10-23	1487.82
Gas Chromatography	Cytoglobosin I_TMS_44	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CC[C@@H](O[Si](C)(C)C)C1=O	standard polar	2025-10-23	2170.38
Gas Chromatography	Cytoglobosin I_TMS_45	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CCC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	670.87
Gas Chromatography	Cytoglobosin I_TMS_46	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O)C1=O	standard polar	2025-10-23	2339.34
Gas Chromatography	Cytoglobosin I_TMS_47	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CC[C@@H](O)C1=O	standard polar	2025-10-23	945.866
Gas Chromatography	Cytoglobosin I_TMS_48	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	911.647
Gas Chromatography	Cytoglobosin I_TMS_49	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O[Si](C)(C)C)C1=O	standard polar	2025-10-23	1547.01
Gas Chromatography	Cytoglobosin I_TMS_50	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@H](O[Si](C)(C)C)C1=O	standard polar	2025-10-23	1601.21
Gas Chromatography	Cytoglobosin I_TMS_51	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CCC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	859.073
Gas Chromatography	Cytoglobosin I_TMS_52	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	2037.8
Gas Chromatography	Cytoglobosin I_TMS_53	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O)C1=O	standard polar	2025-10-23	2749.29
Gas Chromatography	Cytoglobosin I_TMS_54	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	2336.34
Gas Chromatography	Cytoglobosin I_TMS_55	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O[Si](C)(C)C)C1=O	standard polar	2025-10-23	3579.88
Gas Chromatography	Cytoglobosin I_TMS_56	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CC[C@@H](O[Si](C)(C)C)C1=O	standard polar	2025-10-23	2837.92
Gas Chromatography	Cytoglobosin I_TMS_57	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CCC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	3054.45
Gas Chromatography	Cytoglobosin I_TMS_58	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CCC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	1088.79
Gas Chromatography	Cytoglobosin I_TMS_59	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O)C1=O	standard polar	2025-10-23	1746.09
Gas Chromatography	Cytoglobosin I_TMS_60	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	2062.84
Gas Chromatography	Cytoglobosin I_TMS_61	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	2153.43
Gas Chromatography	Cytoglobosin I_TMS_62	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O[Si](C)(C)C)C1=O	standard polar	2025-10-23	2855.52
Gas Chromatography	Cytoglobosin I_TMS_63	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CCC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	2421.97
Gas Chromatography	Cytoglobosin I_TMS_64	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CC[C@@H](O[Si](C)(C)C)C1=O	standard polar	2025-10-23	1024.69
Gas Chromatography	Cytoglobosin I_TMS_65	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CCC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	1254.19
Gas Chromatography	Cytoglobosin I_TMS_66	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O)C1=O	standard polar	2025-10-23	2039.49
Gas Chromatography	Cytoglobosin I_TMS_67	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CC[C@@H](O)C1=O	standard polar	2025-10-23	1448.15
Gas Chromatography	Cytoglobosin I_TMS_68	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	712.931
Gas Chromatography	Cytoglobosin I_TMS_69	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O[Si](C)(C)C)C1=O	standard polar	2025-10-23	2426.19
Gas Chromatography	Cytoglobosin I_TMS_70	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CC[C@@H](O[Si](C)(C)C)C1=O	standard polar	2025-10-23	1146.56
Gas Chromatography	Cytoglobosin I_TMS_71	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CCC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	2800.15
Gas Chromatography	Cytoglobosin I_TMS_72	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	1256.23
Gas Chromatography	Cytoglobosin I_TMS_73	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O)C1=O	standard polar	2025-10-23	3313.3
Gas Chromatography	Cytoglobosin I_TMS_74	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	2000.34
Gas Chromatography	Cytoglobosin I_TMS_75	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O[Si](C)(C)C)C1=O	standard polar	2025-10-23	2156.65
Gas Chromatography	Cytoglobosin I_TMS_76	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CC[C@@H](O[Si](C)(C)C)C1=O	standard polar	2025-10-23	3752.23
Gas Chromatography	Cytoglobosin I_TMS_77	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CCC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	2361.34
Gas Chromatography	Cytoglobosin I_TMS_78	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CCC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	2179.52
Gas Chromatography	Cytoglobosin I_TMS_79	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O)C1=O	standard polar	2025-10-23	334.775
Gas Chromatography	Cytoglobosin I_TMS_80	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	2898.05
Gas Chromatography	Cytoglobosin I_TMS_81	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	2636.43
Gas Chromatography	Cytoglobosin I_TMS_82	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O[Si](C)(C)C)C1=O	standard polar	2025-10-23	2173.78
Gas Chromatography	Cytoglobosin I_TMS_83	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O[Si](C)(C)C)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CCC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	1959.04
Gas Chromatography	Cytoglobosin I_TMS_84	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	2747.59
Gas Chromatography	Cytoglobosin I_TMS_85	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O[Si](C)(C)C)C1=O	standard polar	2025-10-23	1456.27
Gas Chromatography	Cytoglobosin I_TMS_86	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CC[C@@H](O[Si](C)(C)C)C1=O	standard polar	2025-10-23	2243.68
Gas Chromatography	Cytoglobosin I_TMS_87	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CCC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	1331.87
Gas Chromatography	Cytoglobosin I_TMS_88	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CCC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	2086.28
Gas Chromatography	Cytoglobosin I_TMS_89	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O)C1=O	standard polar	2025-10-23	1322.98
Gas Chromatography	Cytoglobosin I_TMS_90	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	2404.92
Gas Chromatography	Cytoglobosin I_TMS_91	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	1869.29
Gas Chromatography	Cytoglobosin I_TMS_92	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O[Si](C)(C)C)C1=O	standard polar	2025-10-23	1273.06
Gas Chromatography	Cytoglobosin I_TMS_93	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O[Si](C)(C)C)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CCC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	1372.0
Gas Chromatography	Cytoglobosin I_TMS_94	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=C[NH]C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	1142.33
Gas Chromatography	Cytoglobosin I_TMS_95	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(=O)CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	2396.62
Gas Chromatography	Cytoglobosin I_TMS_96	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CC[C@@H](O[Si](C)(C)C)C1=O	standard polar	2025-10-23	3670.12
Gas Chromatography	Cytoglobosin I_TMS_97	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O[Si](C)(C)C)[C@@]23C(O[Si](C)(C)C)=CCC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	2555.73
Gas Chromatography	Cytoglobosin I_TMS_98	CC1=C[C@@H](C)C/C=C\[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](CC4=CN([Si](C)(C)C)C5=CC=CC=C45)N=C(O)[C@@]23C(O[Si](C)(C)C)=CCC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	1827.12

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	1	Human feces	Metabolic reconstruction

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

78439225

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139590412

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

van Santen JA, Poynton EF, Iskakova D, McMann E, Alsup TA, Clark TN, Fergusson CH, Fewer DP, Hughes AH, McCadden CA, Parra J, Soldatou S, Rudolf JD, Janssen EM, Duncan KR, Linington RG: The Natural Products Atlas 2.0: a database of microbially-derived natural products. Nucleic Acids Res. 2022 Jan 7;50(D1):D1317-D1323. doi: 10.1093/nar/gkab941. [PubMed:34718710 ]

Showing metabocard for Cytoglobosin I (MMDBc0023064)

MOL for #<Metabolite:0x00007fc9556faee8>

3D MOL for #<Metabolite:0x00007fc9556faee8>

3D SDF for #<Metabolite:0x00007fc9556faee8>

3D-SDF for #<Metabolite:0x00007fc9556faee8>

PDB for #<Metabolite:0x00007fc9556faee8>

3D PDB for #<Metabolite:0x00007fc9556faee8>

SMILES for #<Metabolite:0x00007fc9556faee8>

INCHI for #<Metabolite:0x00007fc9556faee8>

Structure for #<Metabolite:0x00007fc9556faee8>

3D Structure for #<Metabolite:0x00007fc9556faee8>