10635 -OEChem-10051720043D 51 54 0 1 0 0 0 0 0999 V2000 -5.1851 -1.1437 -0.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.3026 0.3641 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6336 0.8071 0.1696 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1759 -0.4294 -0.3329 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0645 0.7062 -0.3711 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7887 -0.5734 0.0902 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6811 -0.3879 0.1276 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2990 0.9793 -0.3067 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5502 -1.7671 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0231 -1.7809 -0.4667 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0364 2.1138 -0.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0626 1.8156 -0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1655 -0.3289 -0.5571 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4899 2.1892 0.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4352 1.1679 -0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4789 -1.5378 -0.5668 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9342 -0.7150 1.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7912 -0.5847 1.6633 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 1.1239 0.1226 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9101 -1.1973 -0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5414 -0.1544 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6634 0.8074 1.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1911 -0.3567 -1.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9848 0.6816 -1.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2794 1.0093 -1.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -1.9841 1.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0386 -2.5979 -0.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0542 -1.7741 -1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4962 -2.7183 -0.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 2.9737 0.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0076 2.2064 -1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9140 2.6977 -0.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9822 2.1371 0.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1278 -0.5190 -1.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9349 3.1115 -0.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5313 2.2693 1.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1102 1.3402 0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9133 1.6119 -1.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9614 -1.8644 -1.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4993 -2.4215 0.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 -0.7168 2.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5256 0.0933 2.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4310 -1.6579 1.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8308 -0.5756 2.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 0.1909 2.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 -1.5503 1.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8408 1.3840 1.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2469 1.9192 -0.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9252 -0.8075 -2.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5254 -2.1036 -0.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3936 -0.8295 0.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 51 1 0 0 0 0 2 21 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 22 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 24 1 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 7 18 1 0 0 0 0 8 14 1 0 0 0 0 8 19 1 0 0 0 0 8 25 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 15 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 20 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 21 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 M END > DB02901 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NVKAWKQGWWIWPM-ABEVXSGRSA-N/SDF?record_type=3d > [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C > InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1 > NVKAWKQGWWIWPM-ABEVXSGRSA-N > C19H30O2 > 290.4403 > 290.224580204 > 2 > 51 > 1.3061539954021853e-08 > 34.537342899421 > 1 > 1 > 0 > 1 > (1S,3aS,3bR,5aS,9aS,9bS,11aS)-1-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-one > 3.37 > 3.4112576326666675 > -4.46 > 0 > 0 > 4 > 0 > 19.37770535655329 > -0.8839915294840951 > 37.3 > 83.60309999999998 > 0 > 1 > 9.98e-03 g/l > biotin > 1 $$$$