HMDB0030094 RDKit 3D Betulinic acid 81 85 0 0 0 0 0 0 0 0999 V2000 -3.8962 2.1376 2.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1699 1.0124 2.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5051 -0.1853 2.7838 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1237 1.0477 0.5173 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4615 0.4428 0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0998 -0.8728 -0.6476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7547 -0.4405 -1.2522 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9738 0.5878 -2.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6491 1.7714 -2.1688 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6109 0.2378 -3.4865 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9714 -1.6084 -1.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5019 -1.4872 -1.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9141 -0.6859 -0.6217 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8382 -1.5606 0.6054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7639 0.5604 -0.3107 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1802 1.3249 0.8422 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2798 1.6124 0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0356 0.4303 0.2677 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5349 0.6422 0.2252 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9736 1.7376 -0.6674 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9201 1.0314 1.6578 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3919 0.9438 1.8929 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8979 -0.4162 1.5556 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2883 -0.4622 1.7639 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5693 -0.8581 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4630 -0.1919 -0.8418 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8727 -2.3653 0.1114 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1161 -0.7069 -0.1022 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7138 -1.1153 -1.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2372 -1.2231 -1.6145 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4589 -0.1137 -1.0067 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2472 0.9516 -2.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1139 0.0718 0.0144 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9271 2.1424 3.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6393 3.0657 2.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9535 -0.1230 3.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2384 -1.1464 2.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5764 -0.2394 3.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9941 2.0586 0.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1234 0.1889 0.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9877 1.1309 -0.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8074 -1.1260 -1.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8857 -1.6261 0.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5488 0.6528 -3.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3269 -1.8415 -2.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3198 -2.4992 -1.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0852 -2.5354 -1.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1694 -1.1947 -2.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -1.0483 1.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0847 -2.2023 0.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6781 -2.3170 0.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7584 1.2072 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4391 0.9010 1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6869 2.3366 0.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5033 2.5636 0.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6271 1.7986 1.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8871 -0.3824 1.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8708 2.2452 -0.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3215 1.4249 -1.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2444 2.5443 -0.8237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6401 2.1199 1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3653 0.4680 2.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9791 1.7645 1.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5341 1.0744 3.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4583 -1.1439 2.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6468 0.4775 1.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0899 -0.1845 -1.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7718 0.8070 -0.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4230 -0.7880 -0.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0679 -2.8838 0.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8062 -2.4980 0.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9585 -2.7303 -0.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5876 -1.4316 0.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1357 -2.1529 -1.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1219 -0.5057 -2.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0006 -1.2475 -2.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9162 -2.2465 -1.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0767 1.9542 -1.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1897 0.9750 -2.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5604 0.7403 -2.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1034 -0.7978 0.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 6 8 9 2 0 8 10 1 0 7 11 1 0 11 12 1 0 12 13 1 0 13 14 1 1 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 6 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 6 15 33 1 0 33 4 1 0 33 7 1 0 31 13 1 0 31 18 1 0 28 19 1 0 1 34 1 0 1 35 1 0 3 36 1 0 3 37 1 0 3 38 1 0 4 39 1 1 5 40 1 0 5 41 1 0 6 42 1 0 6 43 1 0 10 44 1 0 11 45 1 0 11 46 1 0 12 47 1 0 12 48 1 0 14 49 1 0 14 50 1 0 14 51 1 0 15 52 1 6 16 53 1 0 16 54 1 0 17 55 1 0 17 56 1 0 18 57 1 1 20 58 1 0 20 59 1 0 20 60 1 0 21 61 1 0 21 62 1 0 22 63 1 0 22 64 1 0 23 65 1 1 24 66 1 0 26 67 1 0 26 68 1 0 26 69 1 0 27 70 1 0 27 71 1 0 27 72 1 0 28 73 1 1 29 74 1 0 29 75 1 0 30 76 1 0 30 77 1 0 32 78 1 0 32 79 1 0 32 80 1 0 33 81 1 1 M END