7alpha-hydroxyandrost-4-ene-3,17-dione

Properties Image MNX_ID MNXM6138 reference chebi:27768 formula C19H26O3 global charge 0 mol weight 302.414 InChIKey LFWLQMQUJQUZBD-TYHLISGHSA-N InChI InChI=1S/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15+,17-,18-,19-/m0/s1 SMILES C[C@]12CCC(=O)C=C1C[C@@H](O)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 MNX internals InChI (mnx) InChI=1/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15+,17-,18-,19-/m0/s1 SMILES (mnx) [CH3:1][C@:18]12[CH2:7][CH2:5][C:12](=[O:20])[CH:9]=[C:11]1[CH2:10][C@@H:15]([OH:21])[C@H:17]1[C@@H:13]3[CH2:3][CH2:4][C:16](=[O:22])[C@@:19]3([CH3:2])[CH2:8][CH2:6][C@@H:14]12

Parent-child relations graph

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