HMDB0035116 RDKit 3D (ent-7alpha)-7-Hydroxy-8(14),15-pimaradien-19-oic acid 53 55 0 0 0 0 0 0 0 0999 V2000 5.3212 -1.1899 0.9783 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5627 -0.1268 1.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3684 0.1166 0.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8029 0.9622 -0.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3743 0.8004 1.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0609 0.8021 0.8066 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0748 1.4870 1.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2226 0.7075 2.8199 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2215 1.6445 0.9302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 0.2899 0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9576 0.0512 0.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4399 -0.4034 1.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8082 1.2175 -0.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3719 2.3789 -0.1835 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1636 0.9977 -0.3018 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3180 -1.1060 -0.7192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4631 -1.1765 -1.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0189 -1.2550 -1.5151 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6479 0.0708 -0.8942 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8032 1.1201 -1.9654 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7791 0.0831 -0.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 -1.3013 -0.2894 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8575 -1.2351 -0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1234 -1.9078 0.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1806 -1.4012 1.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 0.5379 1.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3014 1.9629 -0.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8851 1.1855 -0.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7163 0.4232 -1.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6317 1.3180 2.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 2.4600 1.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3923 -0.0653 2.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0846 2.4107 0.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0013 1.8989 1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1232 -0.4723 1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6740 -1.0472 2.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5672 0.4951 2.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4142 -0.8813 1.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6530 0.3791 0.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1066 -2.0563 -0.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3948 -1.0535 -0.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7336 -2.1583 -2.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6597 -0.3433 -2.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9629 -2.0849 -0.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -1.4707 -2.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3655 0.7495 -2.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2159 2.0248 -1.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8115 1.4297 -2.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4053 0.5507 -1.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8967 -1.8437 0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1597 -1.8664 -1.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1394 -1.9633 0.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3869 -1.5521 -1.0476 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 3 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 13 15 1 0 11 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 3 1 0 21 6 1 0 19 10 1 0 1 24 1 0 1 25 1 0 2 26 1 0 4 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 7 31 1 0 8 32 1 0 9 33 1 0 9 34 1 0 10 35 1 0 12 36 1 0 12 37 1 0 12 38 1 0 15 39 1 0 16 40 1 0 16 41 1 0 17 42 1 0 17 43 1 0 18 44 1 0 18 45 1 0 20 46 1 0 20 47 1 0 20 48 1 0 21 49 1 0 22 50 1 0 22 51 1 0 23 52 1 0 23 53 1 0 M END