3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oic acid

Properties Image MNX_ID MNXM1371570 reference chebi:29086 formula C19H24O6 global charge 0 mol weight 348.395 InChIKey HRJXKKSJPNWKCP-JMERFSKESA-N InChI InChI=1S/C19H24O6/c1-11(3-6-16(22)18(24)25)14(20)7-4-12-13-5-8-17(23)19(13,2)10-9-15(12)21/h3,6,12-13,22H,4-5,7-10H2,1-2H3,(H,24,25)/t12-,13-,19-/m0/s1 SMILES CC(=CC=C(O)C(=O)O)C(=O)CC[C@@H]1C(=O)CC[C@]2(C)C(=O)CC[C@@H]12 MNX internals InChI (mnx) InChI=1/C19H24O6/c1-11(3-6-16(22)18(24)25)14(20)7-4-12-13-5-8-17(23)19(13,2)10-9-15(12)21/h3,6,12-13,22H,4-5,7-10H2,1-2H3,(H,24,25)/b11-3?,16-6?/t12-,13-,19-/m0/s1 SMILES (mnx) [CH3:1][C:11](=[CH:3][CH:6]=[C:16]([C:18]([OH:24])=[O:25])[OH:22])[C:14]([CH2:7][CH2:4][C@H:12]1[C@@H:13]2[CH2:5][CH2:8][C:17](=[O:23])[C@@:19]2([CH3:2])[CH2:10][CH2:9][C:15]1=[O:21])=[O:20]

Parent-child relations graph

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