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CHEBI:190758 - 3,4-dihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohex-1-ene-1-carboxylic acid

ChEBI IDCHEBI:190758
ChEBI Name3,4-dihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohex-1-ene-1-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H18O8
Net Charge0
Average Mass350.323
Monoisotopic Mass350.10017
SMILESCOc1cc(/C=C/C(=O)OC2CC(C(=O)O)=CC(O)C2O)ccc1O
InChIInChI=1S/C17H18O8/c1-24-13-6-9(2-4-11(13)18)3-5-15(20)25-14-8-10(17(22)23)7-12(19)16(14)21/h2-7,12,14,16,18-19,21H,8H2,1H3,(H,22,23)/b5-3+
InChIKeyVBJWKEXLVPKYAA-HWKANZROSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3,4-dihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohex-1-ene-1-carboxylic acid (CHEBI:190758) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
3,4-dihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexene-1-carboxylic acid
Manual XrefsDatabases
HMDB0130157HMDB