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CHEBI:169788 - 2-O-Caffeoylhydroxycitric acid

ChEBI IDCHEBI:169788
ChEBI Name2-O-Caffeoylhydroxycitric acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H14O11
Net Charge0
Average Mass370.266
Monoisotopic Mass370.05361
SMILESO=C(O)CC(O)(C(=O)O)C(OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O
InChIInChI=1S/C15H14O11/c16-8-3-1-7(5-9(8)17)2-4-11(20)26-12(13(21)22)15(25,14(23)24)6-10(18)19/h1-5,12,16-17,25H,6H2,(H,18,19)(H,21,22)(H,23,24)/b4-2+
InChIKeyOUWOVSUGDPWIBY-DUXPYHPUSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
2-O-Caffeoylhydroxycitric acid (CHEBI:169788) has functional parent tetracarboxylic acid (CHEBI:35742)
2-O-Caffeoylhydroxycitric acid (CHEBI:169788) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
1-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxypropane-1,2,3-tricarboxylic acid
Manual XrefsDatabases
HMDB0040572HMDB
35014965ChemSpider