11273 -OEChem-10051721303D 48 51 0 1 0 0 0 0 0999 V2000 -5.1636 0.8835 0.9714 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0941 -2.0217 0.4207 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3512 0.2695 1.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7974 -0.7000 -0.4166 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0130 0.5337 0.1304 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1739 -0.7328 0.2519 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9965 0.5295 -0.0762 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4502 0.6410 -0.4554 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8423 1.8454 0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2823 1.7237 0.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0059 -1.9826 -0.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1311 -1.8857 -0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1767 -0.7157 -0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3779 -1.9115 -0.7842 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3067 0.1098 0.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4404 -1.4030 0.6115 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1948 1.7553 0.3312 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2954 0.7710 -1.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 1.0166 -1.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6957 1.7265 0.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4289 -0.8333 0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2358 0.3809 0.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9262 -0.6080 -1.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1021 0.3590 1.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9948 -0.7616 1.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8805 2.1734 -1.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 2.6500 0.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 1.6227 1.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8299 2.6523 0.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5374 -2.8467 -0.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0887 -2.1550 0.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7998 -2.8278 0.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2570 -2.0535 -1.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2856 -1.8600 -1.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9049 -2.8485 -0.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5070 -1.7200 1.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3127 -1.7374 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9919 1.6461 1.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8265 2.7475 0.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8630 -0.0501 -2.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9088 1.6722 -1.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3911 0.9107 -2.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7949 0.3623 -2.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0979 2.0439 -2.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4461 0.9463 -2.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1589 2.4877 0.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9791 1.9349 -0.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9810 -1.8149 0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 21 1 0 0 0 0 2 48 1 0 0 0 0 3 22 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 4 23 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 25 1 0 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 7 18 1 0 0 0 0 8 13 1 0 0 0 0 8 17 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 14 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 16 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 21 2 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 20 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 22 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 M END > DB08905 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OSVMTWJCGUFAOD-KZQROQTASA-N/SDF?record_type=3d > [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(O)C(=O)CC[C@]12C > InChI=1S/C19H26O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-13,22H,3-10H2,1-2H3/t11-,12-,13-,18+,19-/m0/s1 > OSVMTWJCGUFAOD-KZQROQTASA-N > C19H26O3 > 302.4079 > 302.188194698 > 3 > 48 > -0.006132582751012426 > 34.050020882060196 > 1 > 1 > 0 > 1 > (3aS,3bR,9aR,9bS,11aS)-6-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-dione > 2.57 > 3.4102933220000002 > -3.72 > 0 > 0 > 4 > 0 > 9.20968500948359 > -3.6999437768507106 > 54.370000000000005 > 85.57489999999997 > 0 > 1 > 5.78e-02 g/l > tetrahydrofolic acid > 0 $$$$