14-Hydroxyandrosta-1,4-diene-3,17-dione

Properties Image MNX_ID MNXM33374 reference chebi:79668 formula C19H24O3 global charge 0 mol weight 300.398 InChIKey JPSFSZXAYMJGAK-BSWVEEBUSA-N InChI InChI=1S/C19H24O3/c1-17-8-5-13(20)11-12(17)3-4-15-14(17)6-9-18(2)16(21)7-10-19(15,18)22/h5,8,11,14-15,22H,3-4,6-7,9-10H2,1-2H3/t14-,15+,17-,18+,19+/m0/s1 SMILES C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@]12O MNX internals InChI (mnx) InChI=1/C19H24O3/c1-17-8-5-13(20)11-12(17)3-4-15-14(17)6-9-18(2)16(21)7-10-19(15,18)22/h5,8,11,14-15,22H,3-4,6-7,9-10H2,1-2H3/t14-,15+,17-,18+,19+/m0/s1 SMILES (mnx) [CH3:1][C@:17]12[CH:8]=[CH:5][C:13](=[O:20])[CH:11]=[C:12]1[CH2:3][CH2:4][C@@H:15]1[C@@H:14]2[CH2:6][CH2:9][C@:18]2([CH3:2])[C:16](=[O:21])[CH2:7][CH2:10][C@@:19]12[OH:22]

Parent-child relations graph

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