5880 -OEChem-10051720033D 51 54 0 1 0 0 0 0 0999 V2000 -4.3622 -0.2138 2.4123 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5892 -1.2071 1.1223 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3945 -0.4228 -0.2499 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7618 -0.3324 -1.0263 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5003 0.8379 -0.4938 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7836 0.6809 0.3274 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4868 1.0042 -0.6489 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5878 -0.5629 -0.1020 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3881 -1.7461 -0.4811 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2457 2.1283 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7533 -1.7947 0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5876 2.2351 -0.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7112 -1.5219 -0.6976 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8157 1.8033 0.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0512 0.9919 0.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 -0.3762 -2.5599 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8233 -0.3288 0.7484 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2331 -1.5214 0.7336 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0137 1.1477 1.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9478 -0.2140 1.0501 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0619 -0.5871 -1.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 -0.4216 0.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 0.9018 -1.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4705 0.5508 1.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3507 1.1244 -1.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5434 -1.9124 -1.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2002 -2.5956 -0.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 2.9983 -0.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3976 2.1870 0.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5936 -1.8635 1.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2843 -2.7116 -0.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1076 3.1390 -0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4069 2.3817 -1.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2282 -2.4819 -0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5805 -1.4807 -1.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4702 2.6826 0.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0819 2.1285 -0.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 1.0120 1.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6281 1.9083 0.9687 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1456 -1.3478 -2.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4784 -0.2205 -3.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8397 0.3894 -2.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9273 -2.3588 0.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4185 -1.6969 1.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9631 1.2945 2.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9629 1.5117 0.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8537 -0.1340 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6499 -1.4929 -1.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2350 -0.5793 -2.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7133 0.2594 -1.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5675 -0.2897 2.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 51 1 0 0 0 0 2 17 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 22 1 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 23 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 24 1 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 7 25 1 0 0 0 0 8 11 1 0 0 0 0 8 17 1 0 0 0 0 8 21 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 18 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 19 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 20 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 M END > DB02854 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QGXBDMJGAMFCBF-BNSUEQOYSA-N/SDF?record_type=3d > [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@]([H])(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/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1 > QGXBDMJGAMFCBF-BNSUEQOYSA-N > C19H30O2 > 290.4403 > 290.224580204 > 2 > 51 > 4.3908053191499246e-09 > 34.35919168008975 > 1 > 1 > 0 > 1 > (3aS,3bR,5aR,7R,9aS,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-one > 3.71 > 3.7672845366666667 > -4.66 > 0 > 0 > 4 > 0 > 18.296396321120497 > -1.3569559187002107 > 37.3 > 83.8089 > 0 > 1 > 6.37e-03 g/l > biotin > 1 $$$$