HMDB0094731 RDKit 3D 5-Hepteneoylglycine 28 27 0 0 0 0 0 0 0 0999 V2000 4.9671 0.3589 -1.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8212 -0.5015 -0.8782 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1081 -0.1632 0.1696 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9640 -1.0085 0.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7217 -0.1491 0.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5229 -0.9331 0.9249 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6633 0.0232 0.8252 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5703 1.1633 1.6453 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6624 -0.1638 0.0547 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7185 0.8258 0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9545 0.1836 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9549 -1.0253 -0.7439 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1236 0.9023 -0.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7182 -0.2893 -1.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3868 0.8046 -0.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6484 1.2146 -1.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5946 -1.3943 -1.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3416 0.7151 0.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1162 -1.4783 1.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7933 -1.8312 -0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5253 0.2196 -0.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7746 0.7338 1.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7259 -1.7677 0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4248 -1.3469 1.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3488 0.9658 2.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3970 1.6698 -0.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8319 1.1641 1.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5819 1.1078 -1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 2 3 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 8 25 1 0 10 26 1 0 10 27 1 0 13 28 1 0 M END