MiMeDB: Showing metabocard for Dapdiamide B (MMDBc0009501)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-05-15 02:00:27 UTC

Update Date

2025-10-07 16:05:37 UTC

Metabolite ID

MMDBc0009501

Metabolite Identification

Common Name

Dapdiamide B

Description

Dapdiamide B is a secondary metabolite belonging to the class of peptides. There is limited literature available on Dapdiamide B, indicating that further research is needed to fully understand its properties and potential biological significance.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305152104002D          

 27 26  0  0  1  0            999 V2000
    0.5230   -0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099    6.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    5.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    3.1895    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8099    6.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    4.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6664    2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    3.6020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    7.3145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    4.4270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.9520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5243    7.3145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099    4.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5243    5.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    6.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    2.7770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  5  4  2  0  0  0  0
  7  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
  8 14  1  6  0  0  0
 15  9  2  0  0  0  0
 16  6  1  4  0  0  0
 16 10  2  0  0  0  0
 11 17  1  1  0  0  0
 17 12  2  0  0  0  0
 18  9  1  0  0  0  0
 19 10  1  0  0  0  0
 12 20  1  4  0  0  0
 21 13  2  0  0  0  0
 22 13  1  0  0  0  0
 23  4  1  0  0  0  0
 24  5  1  0  0  0  0
 25  7  1  0  0  0  0
  8 26  1  6  0  0  0
 11 27  1  1  0  0  0
M  END


  Mrv1652305152104002D          

 27 26  0  0  1  0            999 V2000
    0.5230   -0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099    6.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    5.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    3.1895    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8099    6.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    4.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6664    2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    3.6020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    7.3145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    4.4270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.9520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5243    7.3145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099    4.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5243    5.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    6.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    2.7770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  5  4  2  0  0  0  0
  7  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
  8 14  1  6  0  0  0
 15  9  2  0  0  0  0
 16  6  1  4  0  0  0
 16 10  2  0  0  0  0
 11 17  1  1  0  0  0
 17 12  2  0  0  0  0
 18  9  1  0  0  0  0
 19 10  1  0  0  0  0
 12 20  1  4  0  0  0
 21 13  2  0  0  0  0
 22 13  1  0  0  0  0
 23  4  1  0  0  0  0
 24  5  1  0  0  0  0
 25  7  1  0  0  0  0
  8 26  1  6  0  0  0
 11 27  1  1  0  0  0
M  END
> <DATABASE_ID>
MMDBc0009501

> <DATABASE_NAME>
MIME

> <SMILES>
[H]\C(=C(\[H])C(O)=NC[C@]([H])(N)C(O)=N[C@]([H])(C(O)=O)C([H])(C)CC)C(O)=N

> <INCHI_IDENTIFIER>
InChI=1S/C13H22N4O5/c1-3-7(2)11(13(21)22)17-12(20)8(14)6-16-10(19)5-4-9(15)18/h4-5,7-8,11H,3,6,14H2,1-2H3,(H2,15,18)(H,16,19)(H,17,20)(H,21,22)/b5-4+/t7?,8-,11-/m0/s1

> <INCHI_KEY>
WSFQKSIBZODGPB-OFANEYSTSA-N

> <FORMULA>
C13H22N4O5

> <MOLECULAR_WEIGHT>
314.342

> <EXACT_MASS>
314.159019824

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
31.955355933706535

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-{[(2S)-2-amino-1-hydroxy-3-{[(2E)-1-hydroxy-3-(C-hydroxycarbonimidoyl)prop-2-en-1-ylidene]amino}propylidene]amino}-3-methylpentanoic acid

> <ALOGPS_LOGP>
-2.15

> <JCHEM_LOGP>
-4.881764939608333

> <ALOGPS_LOGS>
-3.29

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
2.6260690929980646

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.21913637688117582

> <JCHEM_PKA_STRONGEST_BASIC>
12.325476727843025

> <JCHEM_POLAR_SURFACE_AREA>
172.57999999999998

> <JCHEM_REFRACTIVITY>
89.8018

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.60e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-{[(2S)-2-amino-1-hydroxy-3-{[(2E)-1-hydroxy-3-(C-hydroxycarbonimidoyl)prop-2-en-1-ylidene]amino}propylidene]amino}-3-methylpentanoic acid

> <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       0.976  -0.976   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.976   2.104   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.310  -0.206   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.978  11.344   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.645  10.574   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.311   6.724   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.310   1.334   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.977   5.954   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.978  12.884   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.645   9.034   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.644   2.104   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.977   4.414   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.977   1.334   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0       3.644   6.724   0.000  0.00  0.00           N+0
HETATM   15  N   UNK     0       7.645  13.654   0.000  0.00  0.00           N+0
HETATM   16  N   UNK     0       6.311   8.264   0.000  0.00  0.00           N+0
HETATM   17  N   UNK     0       3.644   3.644   0.000  0.00  0.00           N+0
HETATM   18  O   UNK     0      10.312  13.654   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       8.978   8.264   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       6.311   3.644   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       6.311   2.104   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       4.977  -0.206   0.000  0.00  0.00           O+0
HETATM   23  H   UNK     0      10.312  10.574   0.000  0.00  0.00           H+0
HETATM   24  H   UNK     0       6.311  11.344   0.000  0.00  0.00           H+0
HETATM   25  H   UNK     0       0.976   0.564   0.000  0.00  0.00           H+0
HETATM   26  H   UNK     0       6.311   5.184   0.000  0.00  0.00           H+0
HETATM   27  H   UNK     0       3.644   0.564   0.000  0.00  0.00           H+0
CONECT    1    3                                                            
CONECT    2    7                                                            
CONECT    3    1    7                                                       
CONECT    4    5    9   23                                                  
CONECT    5    4   10   24                                                  
CONECT    6    8   16                                                       
CONECT    7    2    3   11   25                                             
CONECT    8    6   12   14   26                                             
CONECT    9    4   15   18                                                  
CONECT   10    5   16   19                                                  
CONECT   11    7   13   17   27                                             
CONECT   12    8   17   20                                                  
CONECT   13   11   21   22                                                  
CONECT   14    8                                                            
CONECT   15    9                                                            
CONECT   16    6   10                                                       
CONECT   17   11   12                                                       
CONECT   18    9                                                            
CONECT   19   10                                                            
CONECT   20   12                                                            
CONECT   21   13                                                            
CONECT   22   13                                                            
CONECT   23    4                                                            
CONECT   24    5                                                            
CONECT   25    7                                                            
CONECT   26    8                                                            
CONECT   27   11                                                            
MASTER        0    0    0    0    0    0    0    0   27    0   52    0
END

Synonyms

Value	Source
(2S)-2-{[(2S)-2-amino-1-hydroxy-3-{[(2E)-1-hydroxy-3-(C-hydroxycarbonimidoyl)prop-2-en-1-ylidene]amino}propylidene]amino}-3-methylpentanoate	Generator

Molecular Formula

C₁₃H₂₂N₄O₅

Average Mass

314.342

Monoisotopic Mass

314.159019824

IUPAC Name

(2S)-2-{[(2S)-2-amino-1-hydroxy-3-{[(2E)-1-hydroxy-3-(C-hydroxycarbonimidoyl)prop-2-en-1-ylidene]amino}propylidene]amino}-3-methylpentanoic acid

Traditional Name

(2S)-2-{[(2S)-2-amino-1-hydroxy-3-{[(2E)-1-hydroxy-3-(C-hydroxycarbonimidoyl)prop-2-en-1-ylidene]amino}propylidene]amino}-3-methylpentanoic acid

CAS Registry Number

Not Available

SMILES

[H]\C(=C(\[H])C(O)=NC[C@]([H])(N)C(O)=N[C@]([H])(C(O)=O)C([H])(C)CC)C(O)=N

InChI Identifier

InChI=1S/C13H22N4O5/c1-3-7(2)11(13(21)22)17-12(20)8(14)6-16-10(19)5-4-9(15)18/h4-5,7-8,11H,3,6,14H2,1-2H3,(H2,15,18)(H,16,19)(H,17,20)(H,21,22)/b5-4+/t7?,8-,11-/m0/s1

InChI Key

WSFQKSIBZODGPB-OFANEYSTSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
Isoleucine or derivatives
N-acyl-alpha-amino acid
N-acyl-l-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Beta amino acid or derivatives
Alpha-amino acid or derivatives
Branched fatty acid
Methyl-branched fatty acid
N-acyl-amine
Fatty acyl
Amino acid or derivatives
Carboxamide group
Carboxylic acid salt
Amino acid
Primary carboxylic acid amide
Secondary carboxylic acid amide
Monocarboxylic acid or derivatives
Carboxylic acid
Organic salt
Hydrocarbon derivative
Amine
Primary aliphatic amine
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Organic oxide
Organonitrogen compound
Organooxygen compound
Primary amine
Organopnictogen compound
Organic zwitterion
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.16 g/L	ALOGPS
logP	-2.2	ALOGPS
logP	-4.9	ChemAxon
logS	-3.3	ALOGPS
pKa (Strongest Acidic)	0.22	ChemAxon
pKa (Strongest Basic)	12.33	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	172.58 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	89.8 m³·mol⁻¹	ChemAxon
Polarizability	31.96 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Not Available

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 (eluted)	2025-10-23	457.2
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	300.4
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-23	139.8
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	288.9
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	299.2
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (retained)	2025-10-23	205.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	784.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	559.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	456.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	149.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	333.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	161.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	64.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	237.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	375.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	64.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	208.8
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	933.0
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	626.4

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Dapdiamide B_TMS_1	CCC(C)[C@H](N=C(O)[C@@H](N)CN=C(/C=C/C(=N)O)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2318.57
Gas Chromatography	Dapdiamide B_TMS_2	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(O)/C=C/C(=N)O)C(=O)O	standard non polar	2025-10-23	1952.0
Gas Chromatography	Dapdiamide B_TMS_3	CCC(C)[C@H](N=C(O)[C@@H](N)CN=C(O)/C=C/C(=N)O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1851.46
Gas Chromatography	Dapdiamide B_TMS_4	CCC(C)[C@H](N=C(O)[C@@H](N)CN=C(O)/C=C/C(=N)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2108.35
Gas Chromatography	Dapdiamide B_TMS_5	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(=N)O)N[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1595.31
Gas Chromatography	Dapdiamide B_TMS_6	CCC(C)[C@H](N=C(O)[C@@H](N)CN=C(O)/C=C/C(O)=N[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2374.23
Gas Chromatography	Dapdiamide B_TMS_7	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(/C=C/C(=N)O)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1573.34
Gas Chromatography	Dapdiamide B_TMS_8	CCC(C)[C@H](N=C(O)[C@@H](N)CN=C(/C=C/C(=N)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2538.81
Gas Chromatography	Dapdiamide B_TMS_9	CCC(C)[C@H](N=C(O)[C@@H](N)CN=C(/C=C/C(=N)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1578.14
Gas Chromatography	Dapdiamide B_TMS_10	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(=N)O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2168.97
Gas Chromatography	Dapdiamide B_TMS_11	CCC(C)[C@H](N=C(O)[C@@H](N)CN=C(/C=C/C(O)=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2037.55
Gas Chromatography	Dapdiamide B_TMS_12	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(O)/C=C/C(=N)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1730.23
Gas Chromatography	Dapdiamide B_TMS_13	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(O)/C=C/C(=N)O)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2164.4
Gas Chromatography	Dapdiamide B_TMS_14	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(=N)O)N[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2203.06
Gas Chromatography	Dapdiamide B_TMS_15	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(O)/C=C/C(O)=N[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1837.6
Gas Chromatography	Dapdiamide B_TMS_16	CCC(C)[C@H](N=C(O)[C@@H](N)CN=C(O)/C=C/C(=N)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1623.08
Gas Chromatography	Dapdiamide B_TMS_17	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(=N)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2393.11
Gas Chromatography	Dapdiamide B_TMS_18	CCC(C)[C@H](N=C(O)[C@@H](N)CN=C(O)/C=C/C(O)=N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	960.055
Gas Chromatography	Dapdiamide B_TMS_19	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(=N)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2084.09
Gas Chromatography	Dapdiamide B_TMS_20	CCC(C)[C@H](N=C(O)[C@@H](N)CN=C(O)/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1484.95
Gas Chromatography	Dapdiamide B_TMS_21	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(O)=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	894.591
Gas Chromatography	Dapdiamide B_TMS_22	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(=N)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1886.85
Gas Chromatography	Dapdiamide B_TMS_23	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(/C=C/C(=N)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2405.02
Gas Chromatography	Dapdiamide B_TMS_24	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(/C=C/C(=N)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1802.21
Gas Chromatography	Dapdiamide B_TMS_25	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(=N)O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1466.36
Gas Chromatography	Dapdiamide B_TMS_26	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(/C=C/C(O)=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2735.74
Gas Chromatography	Dapdiamide B_TMS_27	CCC(C)[C@H](N=C(O)[C@@H](N)CN=C(/C=C/C(=N)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1734.9
Gas Chromatography	Dapdiamide B_TMS_28	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(=N)O[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1664.36
Gas Chromatography	Dapdiamide B_TMS_29	CCC(C)[C@H](N=C(O)[C@@H](N)CN=C(/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1383.36
Gas Chromatography	Dapdiamide B_TMS_30	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(=N)O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2696.69
Gas Chromatography	Dapdiamide B_TMS_31	CCC(C)[C@H](N=C(O)[C@@H](N)CN=C(/C=C/C(O)=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2147.19
Gas Chromatography	Dapdiamide B_TMS_32	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(O)=N[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1050.35
Gas Chromatography	Dapdiamide B_TMS_33	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(=N)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2952.52
Gas Chromatography	Dapdiamide B_TMS_34	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(O)/C=C/C(=N)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1760.59
Gas Chromatography	Dapdiamide B_TMS_35	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(=N)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2624.64
Gas Chromatography	Dapdiamide B_TMS_36	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(O)/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1616.56
Gas Chromatography	Dapdiamide B_TMS_37	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(=N)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1288.11
Gas Chromatography	Dapdiamide B_TMS_38	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(O)/C=C/C(O)=N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1596.28
Gas Chromatography	Dapdiamide B_TMS_39	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(O)=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2312.49
Gas Chromatography	Dapdiamide B_TMS_40	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(=N)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1552.87
Gas Chromatography	Dapdiamide B_TMS_41	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(=N)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1786.01
Gas Chromatography	Dapdiamide B_TMS_42	CCC(C)[C@H](N=C(O)[C@@H](N)CN=C(O)/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	3112.08
Gas Chromatography	Dapdiamide B_TMS_43	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(O)=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2845.56
Gas Chromatography	Dapdiamide B_TMS_44	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(=N)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2693.03
Gas Chromatography	Dapdiamide B_TMS_45	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1925.11
Gas Chromatography	Dapdiamide B_TMS_46	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(=N)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2101.49
Gas Chromatography	Dapdiamide B_TMS_47	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(O)=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1982.77
Gas Chromatography	Dapdiamide B_TMS_48	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(/C=C/C(=N)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1884.29
Gas Chromatography	Dapdiamide B_TMS_49	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(=N)O[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2455.18
Gas Chromatography	Dapdiamide B_TMS_50	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	319.35
Gas Chromatography	Dapdiamide B_TMS_51	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(=N)O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2267.71
Gas Chromatography	Dapdiamide B_TMS_52	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(/C=C/C(O)=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1670.47
Gas Chromatography	Dapdiamide B_TMS_53	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(O)=N[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1592.32
Gas Chromatography	Dapdiamide B_TMS_54	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(=N)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1885.1
Gas Chromatography	Dapdiamide B_TMS_55	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(=N)O[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1075.69
Gas Chromatography	Dapdiamide B_TMS_56	CCC(C)[C@H](N=C(O)[C@@H](N)CN=C(/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	3242.58
Gas Chromatography	Dapdiamide B_TMS_57	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1607.48
Gas Chromatography	Dapdiamide B_TMS_58	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(=N)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2506.86
Gas Chromatography	Dapdiamide B_TMS_59	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(O)=N[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2139.54
Gas Chromatography	Dapdiamide B_TMS_60	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(=N)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2075.66
Gas Chromatography	Dapdiamide B_TMS_61	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(O)=N[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1208.56
Gas Chromatography	Dapdiamide B_TMS_62	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(=N)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	645.126
Gas Chromatography	Dapdiamide B_TMS_63	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(O)/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2848.54
Gas Chromatography	Dapdiamide B_TMS_64	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1260.72
Gas Chromatography	Dapdiamide B_TMS_65	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(=N)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1768.75
Gas Chromatography	Dapdiamide B_TMS_66	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(O)=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1920.01
Gas Chromatography	Dapdiamide B_TMS_67	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(=N)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1955.41
Gas Chromatography	Dapdiamide B_TMS_68	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(O)=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1783.83
Gas Chromatography	Dapdiamide B_TMS_69	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1800.99
Gas Chromatography	Dapdiamide B_TMS_70	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(=N)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1706.66
Gas Chromatography	Dapdiamide B_TMS_71	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(O)=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2977.02
Gas Chromatography	Dapdiamide B_TMS_72	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2767.02
Gas Chromatography	Dapdiamide B_TMS_73	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(=N)O[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1357.46
Gas Chromatography	Dapdiamide B_TMS_74	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1025.97
Gas Chromatography	Dapdiamide B_TMS_75	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2654.02
Gas Chromatography	Dapdiamide B_TMS_76	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(=N)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	3155.64
Gas Chromatography	Dapdiamide B_TMS_77	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(O)=N[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2301.61
Gas Chromatography	Dapdiamide B_TMS_78	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(=N)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2528.7
Gas Chromatography	Dapdiamide B_TMS_79	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(O)=N[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1967.27
Gas Chromatography	Dapdiamide B_TMS_80	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1188.07
Gas Chromatography	Dapdiamide B_TMS_81	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(=N)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2003.98
Gas Chromatography	Dapdiamide B_TMS_82	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	1204.98
Gas Chromatography	Dapdiamide B_TMS_83	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(O)=N[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1447.03
Gas Chromatography	Dapdiamide B_TMS_84	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1361.92
Gas Chromatography	Dapdiamide B_TMS_85	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(=N)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2296.56
Gas Chromatography	Dapdiamide B_TMS_86	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2754.15
Gas Chromatography	Dapdiamide B_TMS_87	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(O)=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1238.29
Gas Chromatography	Dapdiamide B_TMS_88	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2211.57
Gas Chromatography	Dapdiamide B_TMS_89	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1984.8
Gas Chromatography	Dapdiamide B_TMS_90	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(=N)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	2762.12
Gas Chromatography	Dapdiamide B_TMS_91	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2600.0
Gas Chromatography	Dapdiamide B_TMS_92	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(O)=N[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1636.71
Gas Chromatography	Dapdiamide B_TMS_93	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1360.61
Gas Chromatography	Dapdiamide B_TMS_94	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	677.382
Gas Chromatography	Dapdiamide B_TMS_95	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard non polar	2025-10-23	1914.44
Gas Chromatography	Dapdiamide B_TMS_1	CCC(C)[C@H](N=C(O)[C@@H](N)CN=C(/C=C/C(=N)O)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1853.0
Gas Chromatography	Dapdiamide B_TMS_2	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(O)/C=C/C(=N)O)C(=O)O	standard polar	2025-10-23	1991.41
Gas Chromatography	Dapdiamide B_TMS_3	CCC(C)[C@H](N=C(O)[C@@H](N)CN=C(O)/C=C/C(=N)O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2076.01
Gas Chromatography	Dapdiamide B_TMS_4	CCC(C)[C@H](N=C(O)[C@@H](N)CN=C(O)/C=C/C(=N)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2158.67
Gas Chromatography	Dapdiamide B_TMS_5	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(=N)O)N[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2688.03
Gas Chromatography	Dapdiamide B_TMS_6	CCC(C)[C@H](N=C(O)[C@@H](N)CN=C(O)/C=C/C(O)=N[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2557.02
Gas Chromatography	Dapdiamide B_TMS_7	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(/C=C/C(=N)O)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1117.62
Gas Chromatography	Dapdiamide B_TMS_8	CCC(C)[C@H](N=C(O)[C@@H](N)CN=C(/C=C/C(=N)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1096.76
Gas Chromatography	Dapdiamide B_TMS_9	CCC(C)[C@H](N=C(O)[C@@H](N)CN=C(/C=C/C(=N)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2062.21
Gas Chromatography	Dapdiamide B_TMS_10	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(=N)O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2346.05
Gas Chromatography	Dapdiamide B_TMS_11	CCC(C)[C@H](N=C(O)[C@@H](N)CN=C(/C=C/C(O)=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2327.14
Gas Chromatography	Dapdiamide B_TMS_12	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(O)/C=C/C(=N)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2238.4
Gas Chromatography	Dapdiamide B_TMS_13	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(O)/C=C/C(=N)O)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2343.01
Gas Chromatography	Dapdiamide B_TMS_14	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(=N)O)N[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1682.7
Gas Chromatography	Dapdiamide B_TMS_15	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(O)/C=C/C(O)=N[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1854.34
Gas Chromatography	Dapdiamide B_TMS_16	CCC(C)[C@H](N=C(O)[C@@H](N)CN=C(O)/C=C/C(=N)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1900.05
Gas Chromatography	Dapdiamide B_TMS_17	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(=N)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1697.86
Gas Chromatography	Dapdiamide B_TMS_18	CCC(C)[C@H](N=C(O)[C@@H](N)CN=C(O)/C=C/C(O)=N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1755.01
Gas Chromatography	Dapdiamide B_TMS_19	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(=N)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1905.36
Gas Chromatography	Dapdiamide B_TMS_20	CCC(C)[C@H](N=C(O)[C@@H](N)CN=C(O)/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1580.54
Gas Chromatography	Dapdiamide B_TMS_21	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(O)=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2231.1
Gas Chromatography	Dapdiamide B_TMS_22	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(=N)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2451.25
Gas Chromatography	Dapdiamide B_TMS_23	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(/C=C/C(=N)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2358.14
Gas Chromatography	Dapdiamide B_TMS_24	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(/C=C/C(=N)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2210.99
Gas Chromatography	Dapdiamide B_TMS_25	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(=N)O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2329.12
Gas Chromatography	Dapdiamide B_TMS_26	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(/C=C/C(O)=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1680.09
Gas Chromatography	Dapdiamide B_TMS_27	CCC(C)[C@H](N=C(O)[C@@H](N)CN=C(/C=C/C(=N)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2432.28
Gas Chromatography	Dapdiamide B_TMS_28	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(=N)O[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1595.03
Gas Chromatography	Dapdiamide B_TMS_29	CCC(C)[C@H](N=C(O)[C@@H](N)CN=C(/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1779.96
Gas Chromatography	Dapdiamide B_TMS_30	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(=N)O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2906.57
Gas Chromatography	Dapdiamide B_TMS_31	CCC(C)[C@H](N=C(O)[C@@H](N)CN=C(/C=C/C(O)=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1835.79
Gas Chromatography	Dapdiamide B_TMS_32	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(O)=N[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2663.31
Gas Chromatography	Dapdiamide B_TMS_33	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(=N)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1299.11
Gas Chromatography	Dapdiamide B_TMS_34	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(O)/C=C/C(=N)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1381.3
Gas Chromatography	Dapdiamide B_TMS_35	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(=N)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1945.17
Gas Chromatography	Dapdiamide B_TMS_36	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(O)/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1990.97
Gas Chromatography	Dapdiamide B_TMS_37	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(=N)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2857.41
Gas Chromatography	Dapdiamide B_TMS_38	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(O)/C=C/C(O)=N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2149.04
Gas Chromatography	Dapdiamide B_TMS_39	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(O)=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1716.45
Gas Chromatography	Dapdiamide B_TMS_40	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(=N)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1765.84
Gas Chromatography	Dapdiamide B_TMS_41	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(=N)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2539.63
Gas Chromatography	Dapdiamide B_TMS_42	CCC(C)[C@H](N=C(O)[C@@H](N)CN=C(O)/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1709.53
Gas Chromatography	Dapdiamide B_TMS_43	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(O)=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1250.54
Gas Chromatography	Dapdiamide B_TMS_44	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(=N)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2494.39
Gas Chromatography	Dapdiamide B_TMS_45	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2077.19
Gas Chromatography	Dapdiamide B_TMS_46	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(=N)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	858.611
Gas Chromatography	Dapdiamide B_TMS_47	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(O)=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1624.5
Gas Chromatography	Dapdiamide B_TMS_48	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(/C=C/C(=N)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2026.92
Gas Chromatography	Dapdiamide B_TMS_49	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(=N)O[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1358.86
Gas Chromatography	Dapdiamide B_TMS_50	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2182.84
Gas Chromatography	Dapdiamide B_TMS_51	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(=N)O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2329.16
Gas Chromatography	Dapdiamide B_TMS_52	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(/C=C/C(O)=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	3443.77
Gas Chromatography	Dapdiamide B_TMS_53	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(O)=N[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1512.91
Gas Chromatography	Dapdiamide B_TMS_54	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(=N)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2932.92
Gas Chromatography	Dapdiamide B_TMS_55	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(=N)O[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1266.86
Gas Chromatography	Dapdiamide B_TMS_56	CCC(C)[C@H](N=C(O)[C@@H](N)CN=C(/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1352.3
Gas Chromatography	Dapdiamide B_TMS_57	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2527.82
Gas Chromatography	Dapdiamide B_TMS_58	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(=N)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2053.91
Gas Chromatography	Dapdiamide B_TMS_59	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(O)=N[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2980.57
Gas Chromatography	Dapdiamide B_TMS_60	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(=N)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2071.65
Gas Chromatography	Dapdiamide B_TMS_61	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(O)=N[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2103.54
Gas Chromatography	Dapdiamide B_TMS_62	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(=N)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1028.1
Gas Chromatography	Dapdiamide B_TMS_63	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(O)/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1756.3
Gas Chromatography	Dapdiamide B_TMS_64	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1546.48
Gas Chromatography	Dapdiamide B_TMS_65	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(=N)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2161.73
Gas Chromatography	Dapdiamide B_TMS_66	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(O)=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2613.96
Gas Chromatography	Dapdiamide B_TMS_67	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(=N)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1471.09
Gas Chromatography	Dapdiamide B_TMS_68	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(O)=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2755.59
Gas Chromatography	Dapdiamide B_TMS_69	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1762.99
Gas Chromatography	Dapdiamide B_TMS_70	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(=N)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2593.79
Gas Chromatography	Dapdiamide B_TMS_71	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(O)=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1422.25
Gas Chromatography	Dapdiamide B_TMS_72	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2233.09
Gas Chromatography	Dapdiamide B_TMS_73	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(=N)O[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1252.62
Gas Chromatography	Dapdiamide B_TMS_74	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CN=C(/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1423.33
Gas Chromatography	Dapdiamide B_TMS_75	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	3102.93
Gas Chromatography	Dapdiamide B_TMS_76	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(=N)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2152.76
Gas Chromatography	Dapdiamide B_TMS_77	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(O)=N[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2111.69
Gas Chromatography	Dapdiamide B_TMS_78	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(=N)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	3201.52
Gas Chromatography	Dapdiamide B_TMS_79	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(O)=N[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1938.88
Gas Chromatography	Dapdiamide B_TMS_80	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2913.39
Gas Chromatography	Dapdiamide B_TMS_81	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(=N)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1781.43
Gas Chromatography	Dapdiamide B_TMS_82	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	1096.82
Gas Chromatography	Dapdiamide B_TMS_83	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(O)=N[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2228.84
Gas Chromatography	Dapdiamide B_TMS_84	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	3031.26
Gas Chromatography	Dapdiamide B_TMS_85	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(=N)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2125.13
Gas Chromatography	Dapdiamide B_TMS_86	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2506.38
Gas Chromatography	Dapdiamide B_TMS_87	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(O)=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2070.7
Gas Chromatography	Dapdiamide B_TMS_88	CCC(C)[C@H](N=C(O)[C@H](CN=C(O)/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	477.024
Gas Chromatography	Dapdiamide B_TMS_89	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1817.42
Gas Chromatography	Dapdiamide B_TMS_90	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(=N)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2175.19
Gas Chromatography	Dapdiamide B_TMS_91	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	730.268
Gas Chromatography	Dapdiamide B_TMS_92	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(O)=N[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	3217.59
Gas Chromatography	Dapdiamide B_TMS_93	CCC(C)[C@H](N=C(O)[C@H](CN=C(/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	1762.88
Gas Chromatography	Dapdiamide B_TMS_94	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(O)/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	2032.66
Gas Chromatography	Dapdiamide B_TMS_95	CCC(C)[C@H](N=C(O[Si](C)(C)C)[C@H](CN=C(/C=C/C(=N[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	standard polar	2025-10-23	3001.47

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
Bacteria	Proteobacteria	1	Human	Metabolic reconstruction
Bacteria/Eubacteria	Proteobacteria	1	Human	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

58837249

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

86583460

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for Dapdiamide B (MMDBc0009501)

MOL for #<Metabolite:0x00007f2e0090eb58>

3D MOL for #<Metabolite:0x00007f2e0090eb58>

3D SDF for #<Metabolite:0x00007f2e0090eb58>

3D-SDF for #<Metabolite:0x00007f2e0090eb58>

PDB for #<Metabolite:0x00007f2e0090eb58>

3D PDB for #<Metabolite:0x00007f2e0090eb58>

SMILES for #<Metabolite:0x00007f2e0090eb58>

INCHI for #<Metabolite:0x00007f2e0090eb58>

Structure for #<Metabolite:0x00007f2e0090eb58>

3D Structure for #<Metabolite:0x00007f2e0090eb58>