Mrv0541 02231220512D 25 28 0 0 1 0 999 V2000 13.3590 -11.1822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8979 -11.1822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0246 -10.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0567 -8.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9315 -12.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6036 -11.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6803 -11.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6967 -9.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3525 -10.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3688 -9.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5090 -12.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0027 -10.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1812 -11.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7586 -11.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5254 -10.7418 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7750 -10.3990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1974 -10.2634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4222 -9.7323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8761 -9.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1029 -10.8774 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1192 -9.4421 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0865 -12.3127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2434 -9.6540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0554 -8.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4247 -10.0292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20 3 1 1 0 0 0 21 4 1 1 0 0 0 5 13 1 0 0 0 0 5 6 1 0 0 0 0 15 6 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 16 8 1 0 0 0 0 8 10 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 11 14 1 0 0 0 0 11 13 2 0 0 0 0 17 12 1 0 0 0 0 12 18 1 0 0 0 0 13 20 1 0 0 0 0 14 22 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 18 23 1 6 0 0 0 18 19 1 0 0 0 0 19 21 1 0 0 0 0 19 24 2 0 0 0 0 16 2 1 6 0 0 0 17 1 1 6 0 0 0 15 25 1 1 0 0 0 M END > FDB024076 > foodb > [H][C@@]12C[C@@H](O)C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C > InChI=1S/C19H26O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h9,13-16,21H,3-8,10H2,1-2H3/t13-,14+,15+,16-,18+,19+/m1/s1 > SSBCZTXGVMMZOT-NBBHSKLNSA-N > C19H26O3 > 302.4079 > 302.188194698 > 3 > 33.991129403085495 > 1 > 1 > 0 > 1 > (1S,2R,10R,11S,13R,15S)-13-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-ene-5,14-dione > 2.32 > 3.0578850826666675 > -3.66 > 0 > 4 > 0 > 19.083368691594035 > 13.382230868379793 > -3.506411838826353 > 54.37 > 85.09969999999997 > 0 > 1 > 6.66e-02 g/l > 4-androsten-16α-ol-3,17-dione > 0 > FDB024076 > 16alpha-Hydroxyandrost-4-ene-3,17-dione $$$$