CHEBI:57575 - trans-5-O-(4-coumaroyl)-D-quinate

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ChEBI Name trans-5-O-(4-coumaroyl)-D-quinate
ChEBI ID CHEBI:57575
ChEBI ASCII Name trans-5-O-(4-coumaroyl)-D-quinate
Definition The conjugate base of trans-5-O-(4-coumaroyl)-D-quinic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H17O8
Net Charge -1
Average Mass 337.30140
Monoisotopic Mass 337.092
InChI InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/p-1/b6-3+/t11-,12-,14-,16+/m1/s1
InChIKey BMRSEYFENKXDIS-OTCYKTEZSA-M
SMILES O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)cc2)[C@@H]1O)C([O-])=O
ChEBI Ontology
Outgoing trans-5-O-(4-coumaroyl)-D-quinate (CHEBI:57575) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
trans-5-O-(4-coumaroyl)-D-quinate (CHEBI:57575) is conjugate base of trans-5-O-(4-coumaroyl)-D-quinic acid (CHEBI:15937)
Incoming trans-5-O-(4-coumaroyl)-D-quinic acid (CHEBI:15937) is conjugate acid of trans-5-O-(4-coumaroyl)-D-quinate (CHEBI:57575)
IUPAC Name
(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexanecarboxylate
Synonym Source
trans-5-O-(4-coumaroyl)-D-quinate UniProt
Last Modified
13 November 2017