HMDB0036072 RDKit 3D Genipic acid 25 26 0 0 0 0 0 0 0 0999 V2000 3.5878 -0.5311 1.9098 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8575 -0.2175 0.9137 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4480 0.4651 -0.1318 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4384 -0.6141 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7108 -0.1674 -0.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8057 1.3388 -0.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5205 1.7267 -0.9354 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4408 0.7043 -0.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7465 -0.4122 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8034 -1.4520 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3234 -2.5554 0.7284 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 -0.6881 0.8782 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8283 0.4319 0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6844 0.0155 -1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3744 -1.7178 1.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9833 -0.0882 1.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 -0.6562 -1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8832 1.7623 0.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6545 1.6770 -1.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5474 1.6231 -2.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8495 2.7413 -0.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3723 -1.6874 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7664 -3.0631 0.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3053 1.2771 0.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3880 0.0875 -0.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 9 5 1 0 13 8 1 0 3 14 1 0 4 15 1 0 4 16 1 0 5 17 1 0 6 18 1 0 6 19 1 0 7 20 1 0 7 21 1 0 10 22 1 0 11 23 1 0 13 24 1 0 13 25 1 0 M END