CHEBI:88343 - 1-caffeoyl-5-feruloylquinic acid

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ChEBI Name 1-caffeoyl-5-feruloylquinic acid
Definition A quinic acid that is (−)-quinic acid acylated at positions 1 and 5 by caffeoyl and feruloyl groups respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H26O12
Net Charge 0
Average Mass 530.478
Monoisotopic Mass 530.14243
InChI InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)4-8-22(31)37-21-13-26(25(34)35,12-19(30)24(21)33)38-23(32)9-5-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,33H,12-13H2,1H3,(H,34,35)/b8-4+,9-5+/t19-,21-,24+,26-/m1/s1
SMILES C(=O)(/C=C/C1=CC=C(O)C(O)=C1)O[C@@]2(C[C@@H](O)[C@@H]([C@@H](C2)OC(=O)/C=C/C3=CC(=C(O)C=C3)OC)O)C(O)=O
Metabolite of Species Details
Phyllanthus niruri (NCBI:txid296034) See: MetaboLights Study
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 1-caffeoyl-5-feruloylquinic acid (CHEBI:88343) has functional parent (−)-quinic acid (CHEBI:17521)
1-caffeoyl-5-feruloylquinic acid (CHEBI:88343) has functional parent trans-caffeic acid (CHEBI:16433)
1-caffeoyl-5-feruloylquinic acid (CHEBI:88343) has functional parent ferulic acid (CHEBI:17620)
1-caffeoyl-5-feruloylquinic acid (CHEBI:88343) is a polyphenol (CHEBI:26195)
1-caffeoyl-5-feruloylquinic acid (CHEBI:88343) is a quinic acid (CHEBI:26493)
(1R,3R,4S,5R)-1-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4-dihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
Synonym Source
1-O-caffeoyl-5-O-feruloylquinic acid ChEBI
Manual Xref Database
HMDB0041642 HMDB
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Last Modified
07 June 2016