6128 -OEChem-10051719373D 47 50 0 1 0 0 0 0 0999 V2000 -4.9441 -1.0694 -0.8762 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5582 0.1496 -1.0388 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6332 0.7753 0.3577 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1972 -0.4487 -0.1473 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0218 0.7137 -0.2841 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7776 -0.5708 0.1120 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6677 -0.4669 0.4229 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5680 -1.7904 0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0198 -1.7559 -0.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0926 2.0810 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0274 1.8316 -0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3124 0.9105 0.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1178 -0.2402 -0.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4888 2.1114 0.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3245 1.2615 -0.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4769 -1.5514 -0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0371 -0.7623 1.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6984 -0.7957 1.9327 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9822 -1.4287 -0.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5522 1.0952 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4447 -0.0495 -0.5574 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7373 0.7299 1.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2905 -0.3155 -1.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8637 0.7045 -1.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5768 -2.0768 1.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0472 -2.5937 -0.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0154 -1.6981 -1.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5211 -2.6993 -0.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4739 2.9394 0.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1611 2.2001 -1.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7501 2.7682 -0.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1408 2.0392 1.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 2.1382 1.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9790 3.0474 0.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4267 1.5313 -1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2006 1.5778 -0.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2555 -1.4793 -1.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1716 -2.5573 -0.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6374 0.0482 2.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6017 -1.6869 1.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1163 -0.8305 2.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0319 -0.1493 2.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4011 -1.8316 2.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7039 -0.6701 2.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4803 -2.1578 -0.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2887 -1.6257 0.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9703 2.0862 -0.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 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 10 1 0 0 0 0 3 22 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 24 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 17 1 0 0 0 0 7 12 1 0 0 0 0 7 16 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 14 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 15 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 20 2 0 0 0 0 13 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 19 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 21 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 M END > DB01536 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AEMFNILZOJDQLW-QAGGRKNESA-N/SDF?record_type=3d > [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C > InChI=1S/C19H26O2/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/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1 > AEMFNILZOJDQLW-QAGGRKNESA-N > C19H26O2 > 286.4085 > 286.193280076 > 2 > 47 > -1.486100850237102e-12 > 33.2052257389703 > 1 > 0 > 0 > 1 > (3aS,3bR,9aR,9bS,11aS)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-dione > 2.93 > 3.9289510033333337 > -4.03 > 0 > 0 > 4 > 0 > 18.52163637857575 > -4.816491550715536 > 34.14 > 83.60749999999999 > 0 > 1 > 2.70e-02 g/l > biotin > 1 $$$$