HMDB0037497 RDKit 3D Ethyl (E)-2-octenoate 30 29 0 0 0 0 0 0 0 0999 V2000 -2.9479 1.8441 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4189 0.7824 0.7489 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2268 -0.0417 1.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6389 -0.6645 -0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4097 -1.5264 0.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0778 -2.0753 -0.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2696 -1.8686 -1.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2547 -1.0634 -0.7579 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3834 -0.9678 -1.3855 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2116 -0.3815 0.4108 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 0.3807 0.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 1.4993 0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1307 1.4662 -1.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5505 2.7690 -0.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8777 2.0251 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8961 1.3157 1.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1451 0.1077 0.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4738 0.6506 1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5005 -0.7848 1.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2542 0.1558 -0.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4008 -1.2905 -0.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2302 -0.9252 0.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7808 -2.3673 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6507 -2.7157 -1.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4992 -2.3622 -2.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9384 0.8483 1.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1653 -0.2458 1.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 1.1978 -0.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0093 2.4119 0.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7966 1.8258 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 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 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 7 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