3-Hydroxy-3-(3,4-dihydroxy-4-methylpentanoyl)-5-(3-methylbutyl)-1,2,4-cyclopentanetrione

Properties Image MNX_ID MNXM1129464 reference chebi:175336 formula C16H22O8 global charge 0 mol weight 342.344 InChIKey ZLWDEFGXRIMDIW-UHFFFAOYSA-N InChI InChI=1S/C16H22O8/c1-7(2)5-8(17)11-12(20)14(22)16(24,13(11)21)10(19)6-9(18)15(3,4)23/h7,9,18,20,23-24H,5-6H2,1-4H3 SMILES CC(C)CC(=O)C1=C(O)C(=O)C(O)(C(=O)CC(O)C(C)(C)O)C1=O MNX internals InChI (mnx) InChI=1/C16H22O8/c1-7(2)5-8(17)11-12(20)14(22)16(24,13(11)21)10(19)6-9(18)15(3,4)23/h7,9,18,20,23-24H,5-6H2,1-4H3/t9?,16? SMILES (mnx) [CH3:1][CH:7]([CH3:2])[CH2:5][C:8]([C:11]1=[C:12]([OH:20])[C:14](=[O:22])[C:16]([C:10]([CH2:6][CH:9]([C:15]([CH3:3])([CH3:4])[OH:23])[OH:18])=[O:19])([OH:24])[C:13]1=[O:21])=[O:17]

Parent-child relations graph

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