11beta,13-Dihydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid, delta-lactone

Properties Image MNX_ID MNXM33188 reference chebi:79953 formula C19H24O4 global charge 0 mol weight 316.397 InChIKey HRUQCNZVKJAMRO-KCZNZURUSA-N InChI InChI=1S/C19H24O4/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)23-19(14,2)10-15(21)17(13)18/h7-9,13-15,17,21H,3-6,10H2,1-2H3/t13-,14-,15-,17+,18-,19-/m0/s1 SMILES C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)OC(=O)CC[C@@H]12 MNX internals InChI (mnx) InChI=1/C19H24O4/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)23-19(14,2)10-15(21)17(13)18/h7-9,13-15,17,21H,3-6,10H2,1-2H3/t13-,14-,15-,17+,18-,19-/m0/s1 SMILES (mnx) [CH3:1][C@:18]12[CH:8]=[CH:7][C:12](=[O:20])[CH:9]=[C:11]1[CH2:3][CH2:4][C@H:13]1[C@@H:14]3[CH2:5][CH2:6][C:16](=[O:22])[O:23][C@@:19]3([CH3:2])[CH2:10][C@H:15]([OH:21])[C@@H:17]12

Parent-child relations graph

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