HMDB0000509 RDKit 3D Senecioic acid 15 14 0 0 0 0 0 0 0 0999 V2000 -0.6627 -0.9946 -0.6044 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0099 -0.2707 0.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1131 -0.9261 1.8021 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4449 0.9317 0.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3756 1.6737 -0.9517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8387 2.8219 -1.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2172 1.0902 -2.0549 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 -1.9942 -0.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0145 -1.1500 -1.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5671 -0.4103 -0.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 -2.0203 1.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 -0.7735 2.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9779 -0.5283 2.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9247 1.4239 1.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2434 1.1267 -2.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 2 0 5 7 1 0 1 8 1 0 1 9 1 0 1 10 1 0 3 11 1 0 3 12 1 0 3 13 1 0 4 14 1 0 7 15 1 0 M END