HMDB0032268 RDKit 3D Ethyl 2E-hexenoate 24 23 0 0 0 0 0 0 0 0999 V2000 -3.6257 1.1222 0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2645 -0.3324 0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2836 -0.8066 -0.6676 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0263 -0.0496 -0.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1081 -0.6922 -0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3956 0.0268 -0.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4503 1.2432 -0.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 -0.6744 -0.1659 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8357 -0.1189 -0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0055 0.9262 0.9392 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3325 1.3925 0.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7579 1.7909 0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1881 1.2619 -0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2143 -0.9145 0.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9123 -0.4624 1.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7405 -0.7569 -1.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0608 -1.8729 -0.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9791 1.0342 -0.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0736 -1.7599 -0.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1605 0.2324 -1.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5299 -0.9667 0.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4913 0.5059 1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0651 1.3889 1.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7252 1.6899 0.5719 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 2 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 5 19 1 0 9 20 1 0 9 21 1 0 10 22 1 0 10 23 1 0 10 24 1 0 M END