3,17-dihydroxy-9,10-secoandrost-1,3,5(10)-triene-9-one

Properties Image MNX_ID MNXM146914 reference chebi:85575 formula C19H26O3 global charge 0 mol weight 302.414 InChIKey KNUPPCXYOSQLJL-JZRYZNKLSA-N InChI InChI=1S/C19H26O3/c1-12-3-5-14(20)11-13(12)4-6-15-16-7-8-18(22)19(16,2)10-9-17(15)21/h3,5,11,15-16,18,20,22H,4,6-10H2,1-2H3/t15?,16-,18?,19-/m0/s1 SMILES CC1=CC=C(O)C=C1CCC1C(=O)CC[C@]2(C)C(O)CC[C@@H]12 MNX internals InChI (mnx) InChI=1/C19H26O3/c1-12-3-5-14(20)11-13(12)4-6-15-16-7-8-18(22)19(16,2)10-9-17(15)21/h3,5,11,15-16,18,20,22H,4,6-10H2,1-2H3/t15?,16-,18?,19-/m0/s1 SMILES (mnx) [CH3:1][C:12]1=[C:13]([CH2:4][CH2:6][CH:15]2[C@@H:16]3[CH2:7][CH2:8][CH:18]([OH:22])[C@@:19]3([CH3:2])[CH2:10][CH2:9][C:17]2=[O:21])[CH:11]=[C:14]([OH:20])[CH:5]=[CH:3]1

Parent-child relations graph

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