HMDB0039872 RDKit 3D Methyl 2-heptenoate 24 23 0 0 0 0 0 0 0 0999 V2000 -3.0987 1.3072 0.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0599 0.2223 0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9686 -0.4884 -1.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8737 -1.5531 -0.8909 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4146 -0.8713 -0.5482 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0695 -1.1225 0.5712 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3187 -0.4063 0.8163 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9448 -0.6357 1.8695 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8251 0.5067 -0.0691 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0325 1.2202 0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0089 1.0425 -0.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7075 2.2941 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4349 1.4225 1.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3576 -0.5409 1.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0778 0.6640 0.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7775 0.1627 -1.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9059 -1.0524 -1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1456 -2.2176 -0.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7832 -2.1741 -1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8306 -0.1497 -1.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 -1.8435 1.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8011 0.5110 0.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4025 1.6357 -0.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8903 2.0664 0.8314 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 2 0 6 7 1 0 7 8 2 0 7 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 4 19 1 0 5 20 1 0 6 21 1 0 10 22 1 0 10 23 1 0 10 24 1 0 M END