Search MNXref
 Feedback

2-O-p-Coumaroylhydroxycitric acid

PropertiesImage
MNX_IDMNXM116953 Image of MNXM116953
referencechebi:175529
formulaC15H14O10
global charge0
mol weight354.267
InChIKeyZHUVVSHTKJAVQB-ZZXKWVIFSA-N
InChIInChI=1S/C15H14O10/c16-9-4-1-8(2-5-9)3-6-11(19)25-12(13(20)21)15(24,14(22)23)7-10(17)18/h1-6,12,16,24H,7H2,(H,17,18)(H,20,21)(H,22,23)/b6-3+
SMILESO=C(O)CC(O)(C(=O)O)C(OC(=O)/C=C/C1=CC=C(O)C=C1)C(=O)O
MNX internals
InChI (mnx)InChI=1/C15H14O10/c16-9-4-1-8(2-5-9)3-6-11(19)25-12(13(20)21)15(24,14(22)23)7-10(17)18/h1-6,12,16,24H,7H2,(H,17,18)(H,20,21)(H,22,23)/b6-3+/t12?,15? Image of MNXM116953
SMILES (mnx)[CH:1]1=[CH:4][C:9]([OH:16])=[CH:5][CH:2]=[C:8]1/[CH:3]=[CH:6]/[C:11](=[O:19])[O:25][CH:12]([C:13](=[O:20])[OH:21])[C:15]([CH2:7][C:10](=[O:17])[OH:18])([C:14](=[O:22])[OH:23])[OH:24]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:175529
chebi:175529
ZHUVVSHTKJAVQB-ZZXKWVIFSA-N 		2-O-p-Coumaroylhydroxycitric acid
2-hydroxy-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxypropane-1,2,3-tricarboxylic acid
hmdb:HMDB0040570
ZHUVVSHTKJAVQB-ZZXKWVIFSA-N 		2-O-p-Coumaroylhydroxycitric acid
2-Hydroxy-1-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propane-1,2,3-tricarboxylate
2-O-p-Coumaroylhydroxycitrate
2-hydroxy-1-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propane-1,2,3-tricarboxylic acid

hmdb:HMDB40570 		secondary/obsolete/fantasy identifier