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CHEBI:139438 - 1,3,5-trihydroxy-4-{[(2E)-3-(3-hydroxy-4-methoxyphenyl)-2-propenoyl]oxy}cyclohexanecarboxylic acid

ChEBI IDCHEBI:139438
ChEBI Name1,3,5-trihydroxy-4-{[(2E)-3-(3-hydroxy-4-methoxyphenyl)-2-propenoyl]oxy}cyclohexanecarboxylic acid
Stars
ASCII Name1,3,5-trihydroxy-4-{[(2E)-3-(3-hydroxy-4-methoxyphenyl)-2-propenoyl]oxy}cyclohexanecarboxylic acid
Last Modified15 January 2018
Submittermwilliams
DownloadsMolfile
FormulaC17H20O9
Net Charge0
Average Mass368.338
Monoisotopic Mass368.11073
SMILESCOc1ccc(/C=C/C(=O)OC2C(O)CC(O)(C(=O)O)CC2O)cc1O
InChIInChI=1S/C17H20O9/c1-25-13-4-2-9(6-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+
InChIKeyHPBJJSKSRVQRQK-HWKANZROSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
1,3,5-trihydroxy-4-{[(2E)-3-(3-hydroxy-4-methoxyphenyl)-2-propenoyl]oxy}cyclohexanecarboxylic acid (CHEBI:139438) is a quinic acid (CHEBI:26493)
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