HMDB0032459 RDKit 3D 2-Pentenoic acid 15 14 0 0 0 0 0 0 0 0999 V2000 -1.8146 0.4797 0.4841 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4585 -0.7134 -0.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 -0.7647 -0.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7747 0.1442 -0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2224 0.0445 -0.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7200 -0.8727 -0.9561 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1035 0.9757 0.2719 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9132 0.5460 0.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4865 1.3865 -0.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3044 0.3306 1.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7562 -1.6731 0.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0071 -0.5762 -1.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -1.5551 -1.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4132 0.9635 0.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0701 1.2843 1.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 7 1 0 1 8 1 0 1 9 1 0 1 10 1 0 2 11 1 0 2 12 1 0 3 13 1 0 4 14 1 0 7 15 1 0 M END