CHEBI:60078 - 4-O-feruloyl-D-quinate

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ChEBI Name 4-O-feruloyl-D-quinate
ChEBI ID CHEBI:60078
ChEBI ASCII Name 4-O-feruloyl-D-quinate
Definition The conjugate base of 4-O-feruloyl-D-quinic acid; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H19O9
Net Charge -1
Average Mass 367.32740
Monoisotopic Mass 367.10346
InChI InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(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)/p-1/b5-3+/t11-,12-,15-,17+/m1/s1
InChIKey VTMFDSJJVNQXLT-KSQYBWRXSA-M
SMILES COc1cc(ccc1O)\C=C\C(=O)O[C@H]1[C@H](O)C[C@@](O)(C[C@H]1O)C([O-])=O
ChEBI Ontology
Outgoing 4-O-feruloyl-D-quinate (CHEBI:60078) has functional parent (−)-quinate (CHEBI:29751)
4-O-feruloyl-D-quinate (CHEBI:60078) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
4-O-feruloyl-D-quinate (CHEBI:60078) is conjugate base of 4-O-feruloyl-D-quinic acid (CHEBI:18013)
Incoming 4-O-feruloyl-D-quinic acid (CHEBI:18013) is conjugate acid of 4-O-feruloyl-D-quinate (CHEBI:60078)
IUPAC Name
(1S,3R,4S,5R)-1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexanecarboxylate
Synonyms Sources
4-O-feruloyl-D-quinate UniProt
4-O-feruloyl-D-quinate anion ChEBI
Last Modified
23 October 2012