HMDB0036762 RDKit 3D ent-15-Oxo-16-kauren-19-oic acid 51 54 0 0 0 0 0 0 0 0999 V2000 4.7858 -0.7321 -0.8926 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 -0.5610 -0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6352 -1.5045 0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 -2.7330 -0.0155 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5083 -0.6253 0.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4841 -1.3603 1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7336 -0.5427 1.6044 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2092 0.2621 0.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7085 0.1376 0.2615 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3438 -0.1648 1.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3064 1.4157 -0.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9525 1.4617 -1.2322 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1578 2.5534 0.5863 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0891 -0.9715 -0.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9885 -1.9349 -0.9674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7276 -1.3091 -1.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4496 0.0346 -0.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8144 1.0810 -1.8512 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0269 0.1512 -0.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 1.6235 -0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8983 1.7679 -0.1823 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4577 0.6699 0.6885 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3029 0.2463 1.6067 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5338 0.0405 -1.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9203 -1.6524 -1.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2756 -2.4042 1.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9214 -1.5604 2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5559 -1.2629 1.8897 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6104 0.0884 2.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0448 1.3462 0.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5783 -1.2487 1.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3607 0.3268 1.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7714 0.2673 2.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8486 3.3994 0.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5133 -0.5747 -1.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9329 -1.5770 -0.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8472 -2.6005 -0.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3727 -2.6273 -1.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8255 -1.2147 -2.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1276 -2.0100 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6586 0.6714 -2.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0339 2.0614 -1.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0432 1.0885 -2.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5327 -0.1646 -1.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8065 2.1305 0.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1896 2.1753 -1.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0253 2.7207 0.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4551 1.8879 -1.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3299 0.9834 1.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7327 1.1265 1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6487 -0.3828 2.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 11 13 1 0 9 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 2 1 0 19 5 1 0 23 5 1 0 17 8 1 0 1 24 1 0 1 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 10 31 1 0 10 32 1 0 10 33 1 0 13 34 1 0 14 35 1 0 14 36 1 0 15 37 1 0 15 38 1 0 16 39 1 0 16 40 1 0 18 41 1 0 18 42 1 0 18 43 1 0 19 44 1 0 20 45 1 0 20 46 1 0 21 47 1 0 21 48 1 0 22 49 1 0 23 50 1 0 23 51 1 0 M END