9alpha-hydroxyandrosta-1,4-diene-3,17-dione

Properties Image MNX_ID MNXM3890 reference chebi:63641 formula C19H24O3 global charge 0 mol weight 300.398 InChIKey JCEUDJXAQHPZGL-PLOWYNNNSA-N InChI InChI=1S/C19H24O3/c1-17-9-10-19(22)15(14(17)5-6-16(17)21)4-3-12-11-13(20)7-8-18(12,19)2/h7-8,11,14-15,22H,3-6,9-10H2,1-2H3/t14-,15-,17-,18-,19+/m0/s1 SMILES C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@]12O MNX internals InChI (mnx) InChI=1/C19H24O3/c1-17-9-10-19(22)15(14(17)5-6-16(17)21)4-3-12-11-13(20)7-8-18(12,19)2/h7-8,11,14-15,22H,3-6,9-10H2,1-2H3/t14-,15-,17-,18-,19+/m0/s1 SMILES (mnx) [CH3:1][C@:17]12[CH2:9][CH2:10][C@@:19]3([OH:22])[C@@H:15]([CH2:4][CH2:3][C:12]4=[CH:11][C:13](=[O:20])[CH:7]=[CH:8][C@@:18]43[CH3:2])[C@@H:14]1[CH2:5][CH2:6][C:16]2=[O:21]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 1