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CHEBI:168486 - Caffeic acid 3-O-glucuronide

ChEBI IDCHEBI:168486
ChEBI NameCaffeic acid 3-O-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16O10
Net Charge0
Average Mass356.283
Monoisotopic Mass356.07435
SMILESO=C(O)/C=C/c1ccc(O)c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1
InChIInChI=1S/C15H16O10/c16-7-3-1-6(2-4-9(17)18)5-8(7)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1-5,10-13,15-16,19-21H,(H,17,18)(H,22,23)/b4-2+/t10-,11-,12+,13-,15+/m0/s1
InChIKeyBSOMSDFTZKNUHY-ZYZFHZPYSA-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)
Caffeic acid 3-O-glucuronide (CHEBI:168486) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[5-[(E)-2-carboxyethenyl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0041705HMDB
30777604ChemSpider