kievitone hydrate

Properties Image MNX_ID MNXM4630 reference chebi:17529 formula C20H22O7 global charge 0 mol weight 374.389 InChIKey QISUKJAAXYVLMA-UHFFFAOYSA-N InChI InChI=1S/C20H22O7/c1-20(2,26)6-5-12-15(23)8-16(24)17-18(25)13(9-27-19(12)17)11-4-3-10(21)7-14(11)22/h3-4,7-8,13,21-24,26H,5-6,9H2,1-2H3 SMILES CC(C)(O)CCC1=C(O)C=C(O)C2=C1OCC(C1=CC=C(O)C=C1O)C2=O MNX internals InChI (mnx) InChI=1/C20H22O7/c1-20(2,26)6-5-12-15(23)8-16(24)17-18(25)13(9-27-19(12)17)11-4-3-10(21)7-14(11)22/h3-4,7-8,13,21-24,26H,5-6,9H2,1-2H3/t13? SMILES (mnx) [CH3:1][C:20]([CH3:2])([CH2:6][CH2:5][C:12]1=[C:19]2[C:17](=[C:16]([OH:24])[CH:8]=[C:15]1[OH:23])[C:18](=[O:25])[CH:13]([C:11]1=[C:14]([OH:22])[CH:7]=[C:10]([OH:21])[CH:3]=[CH:4]1)[CH2:9][O:27]2)[OH:26]

Parent-child relations graph

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