HMDB0036763 RDKit 3D (ent-6alpha,7alpha)-6,7-Dihydroxy-16-kauren-19-oic acid 54 57 0 0 0 0 0 0 0 0999 V2000 4.8004 -0.6472 0.8937 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7517 -0.1772 0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8534 -0.9046 -0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 -0.0604 -0.6294 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1877 1.3427 -0.7283 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2635 1.2247 0.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5442 1.3482 1.6774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1084 0.9194 1.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9133 -0.2699 0.6716 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5576 -0.5893 0.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7286 -2.0414 0.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2157 -0.2256 1.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6448 -0.6599 1.9239 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2694 -0.6538 0.5648 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6601 0.4035 -0.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1086 1.7406 0.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3676 0.3091 -1.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2522 -0.5413 -1.8749 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0357 1.1991 -2.6440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1772 0.3129 -0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6405 0.0306 -1.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4371 -0.8905 -2.5058 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7834 -0.3865 -1.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9156 -1.7529 -2.1938 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1205 -1.6977 0.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3896 -0.0352 1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3062 -0.8853 -1.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6354 -1.9332 -0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4697 2.1291 -0.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7232 1.4519 -1.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0597 1.9730 0.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0830 0.7786 2.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5892 2.4394 1.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 0.5697 2.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 1.7812 1.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3850 -1.1382 1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2618 -2.5842 0.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1966 -2.3524 -0.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3234 -2.5283 1.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6657 -0.8044 2.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1194 0.8510 2.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7238 -1.6649 2.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1926 0.0262 2.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3784 -1.6282 0.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3334 -0.2921 0.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0251 2.1138 -0.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2507 1.6573 1.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3066 2.5117 0.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1669 0.9366 -3.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7754 1.3431 -0.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7433 0.9971 -2.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8629 -1.2364 -3.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3026 0.1370 -2.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7979 -1.9463 -2.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 2 0 17 19 1 0 15 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 6 2 1 0 20 10 1 0 9 4 1 0 23 4 1 0 1 25 1 0 1 26 1 0 3 27 1 0 3 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 11 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 12 41 1 0 13 42 1 0 13 43 1 0 14 44 1 0 14 45 1 0 16 46 1 0 16 47 1 0 16 48 1 0 19 49 1 0 20 50 1 0 21 51 1 0 22 52 1 0 23 53 1 0 24 54 1 0 M END