HMDB0302421 RDKit 3D Hex-trans-3-enyl butyrate 30 29 0 0 0 0 0 0 0 0999 V2000 -4.5105 0.9053 -0.3879 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3479 1.1902 0.5472 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6415 -0.0891 0.7856 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3656 -0.2479 0.4628 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 -1.5378 0.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1734 -2.0264 -0.6381 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6887 -1.0707 -1.2093 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8811 -0.6545 -0.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2053 -1.1739 0.4542 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7383 0.3697 -1.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9482 0.5960 -0.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4666 1.0900 0.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3074 0.4365 0.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1670 0.1464 -1.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9107 1.8134 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7624 1.5343 1.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6910 1.9660 0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1528 -0.9316 1.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8441 0.5869 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3656 -2.3082 1.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1272 -1.3843 1.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2897 -3.0330 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0815 -2.0583 -1.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1077 0.0006 -2.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2043 1.3307 -1.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6853 1.2767 -0.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4247 -0.4203 -0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5381 0.2992 1.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2006 1.8865 1.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4623 1.5077 0.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 10 24 1 0 10 25 1 0 11 26 1 0 11 27 1 0 12 28 1 0 12 29 1 0 12 30 1 0 M END