CHEBI:86388 - 3-O-feruloyl-D-quinic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-O-feruloyl-D-quinic acid
ChEBI ID CHEBI:86388
ChEBI ASCII Name 3-O-feruloyl-D-quinic acid
Definition A quinic acid that is the 3-O-feruloyl derivative of D-quinic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C17H20O9
Net Charge 0
Average Mass 368.33530
Monoisotopic Mass 368.11073
InChI InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1
InChIKey RAGZUCNPTLULOL-KJJWLSQTSA-N
SMILES COc1cc(\C=C\C(=O)O[C@@H]2C[C@@](O)(C[C@@H](O)[C@H]2O)C(O)=O)ccc1O
Metabolite of Species Details
Ilex paraguariensis (NCBI:txid185542) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via quinic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-O-feruloyl-D-quinic acid (CHEBI:86388) has functional parent (−)-quinic acid (CHEBI:17521)
3-O-feruloyl-D-quinic acid (CHEBI:86388) has functional parent ferulic acid (CHEBI:17620)
3-O-feruloyl-D-quinic acid (CHEBI:86388) has role plant metabolite (CHEBI:76924)
3-O-feruloyl-D-quinic acid (CHEBI:86388) is a enoate ester (CHEBI:51702)
3-O-feruloyl-D-quinic acid (CHEBI:86388) is a quinic acid (CHEBI:26493)
IUPAC Name
(1S,3R,4R,5R)-1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
Last Modified
09 July 2015