3,4-dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione

Properties Image MNX_ID MNXM2606 reference chebi:15896 formula C19H24O4 global charge 0 mol weight 316.397 InChIKey YUHVBHDSVLKFNI-NJSLBKSFSA-N InChI InChI=1S/C19H24O4/c1-11-3-7-16(21)18(23)12(11)4-5-13-14-6-8-17(22)19(14,2)10-9-15(13)20/h3,7,13-14,21,23H,4-6,8-10H2,1-2H3/t13-,14-,19-/m0/s1 SMILES CC1=CC=C(O)C(O)=C1CC[C@@H]1C(=O)CC[C@]2(C)C(=O)CC[C@@H]12 MNX internals InChI (mnx) InChI=1/C19H24O4/c1-11-3-7-16(21)18(23)12(11)4-5-13-14-6-8-17(22)19(14,2)10-9-15(13)20/h3,7,13-14,21,23H,4-6,8-10H2,1-2H3/t13-,14-,19-/m0/s1 SMILES (mnx) [CH3:1][C:11]1=[C:12]([CH2:4][CH2:5][C@H:13]2[C@@H:14]3[CH2:6][CH2:8][C:17](=[O:22])[C@@:19]3([CH3:2])[CH2:10][CH2:9][C:15]2=[O:20])[C:18]([OH:23])=[C:16]([OH:21])[CH:7]=[CH:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 2