(Q27159124)

inferred from SMILES

mass

368.111±0 dalton

1 reference

3-O-Feruloylquinic acid (English)

9 October 2016

stereoisomer of

3-feruloylquinic acid

1 reference

(1R,3S,4S,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

inferred from InChIKey

1 reference

ethyl 3,4-dihydroxybenzoate

inferred from InChI

1 reference

inferred from InChI

chemical formula

C₁₇H₂₀O₉

1 reference

3-O-Feruloylquinic acid (English)

9 October 2016

canonical SMILES

COC1=C(C=CC(=C1)C=CC(=O)OC2CC(CC(C2O)O)(C(=O)O)O)O

1 reference

3-O-Feruloylquinic acid (English)

9 October 2016

isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)O[C@@H]2C[C@@](C[C@H]([C@H]2O)O)(C(=O)O)O)O

1 reference

3-O-Feruloylquinic acid (English)

9 October 2016

found in taxon

Astragalus circassicus

1 reference

Phenolcarboxylic acids of theOnobrychium section of the genusAstragalus

Astragalus levieri

1 reference

Phenolcarboxylic acids of theOnobrychium section of the genusAstragalus

Astragalus goktschaicus

1 reference

Phenolcarboxylic acids of theOnobrychium section of the genusAstragalus

Astragalus arguricus

1 reference

Phenolcarboxylic acids of theOnobrychium section of the genusAstragalus

Coffea canephora

2 references

3-O-caffeoyl-4-O-feruloylquinic acid from green robusta coffee beans

Contribution of chlorogenic acids to the iron-reducing activity of coffee beverages

Cichorium intybus

1 reference

Hydroxycinnamic acids of Cichorium intybus

Phellodendron amurense

1 reference

Phenolic constituents of phellodendron amurense bark

Cynara scolymus

1 reference

Developmental changes in leaf phenolics composition from three artichoke cvs. (Cynara scolymus) as determined via UHPLC-MS and chemometrics

Amelanchier sanguinea

1 reference

Phenolic acids ofAmelanchier sanguinea andA. oligocarpa

Astragalus sevangensis

1 reference

Phenolcarboxylic acids of theOnobrychium section of the genusAstragalus

Astragalus robustus

1 reference

Phenolic compounds ofAstragalus subrobustus

Coffea arabica

1 reference

Contribution of chlorogenic acids to the iron-reducing activity of coffee beverages

strawberries

1 reference

Hydroxybenzoic and hydroxycinnamic acid derivatives in soft fruits

Malus domestica

1 reference

Quinic acid esters of hydroxycinnamic acids in stone and pome fruit

Prunus armeniaca

1 reference

Quinic acid esters of hydroxycinnamic acids in stone and pome fruit

Prunus avium

1 reference

Quinic acid esters of hydroxycinnamic acids in stone and pome fruit

Prunus cerasus

2 references

Quinic acid esters of hydroxycinnamic acids in stone and pome fruit

Antioxidant properties of sour cherries (Prunus cerasus L.): role of colorless phytochemicals from the methanolic extract of ripe fruits

Prunus domestica

1 reference

Quinic acid esters of hydroxycinnamic acids in stone and pome fruit

peach

1 reference

Quinic acid esters of hydroxycinnamic acids in stone and pome fruit

Pyrus communis

1 reference

Quinic acid esters of hydroxycinnamic acids in stone and pome fruit

Ribes nigrum

1 reference

Hydroxybenzoic and hydroxycinnamic acid derivatives in soft fruits

Ribes rubrum

1 reference

Hydroxybenzoic and hydroxycinnamic acid derivatives in soft fruits

Ribes uva-crispa

1 reference

Hydroxybenzoic and hydroxycinnamic acid derivatives in soft fruits

Rubus

1 reference

Hydroxybenzoic and hydroxycinnamic acid derivatives in soft fruits

Vaccinium corymbosum

1 reference

Hydroxybenzoic and hydroxycinnamic acid derivatives in soft fruits

Eleutherococcus senticosus

1 reference

Phenolic constituents from the stems of Acanthopanax senticosus

Angelica tenuisecta var. furcijuga

1 reference

Inhibitors of nitric oxide production from the flowers of Angelica furcijuga: structures of hyuganosides IV and V.

Ageratina tinifolia

1 reference

A monoterpene glucoside from Eupatorium tinifolium

Phyllostachys edulis

1 reference

Identification and antioxidant activity of novel chlorogenic acid derivatives from bamboo (Phyllostachys edulis).

Coffea

1 reference

Quantitation of volatiles and nonvolatile acids in an extract from coffee beverages: correlation with antioxidant activity

Astragalus onobrychis

1 reference

Phenolcarboxylic acids of theOnobrychium section of the genusAstragalus

Cynara cardunculus

2 references

Developmental changes in leaf phenolics composition from three artichoke cvs. (Cynara scolymus) as determined via UHPLC-MS and chemometrics

Metabolomics driven analysis of artichoke leaf and its commercial products via UHPLC-q-TOF-MS and chemometrics.

Malus pumila

1 reference

Quinic acid esters of hydroxycinnamic acids in stone and pome fruit

Astragalus captiosus

1 reference

Phenolcarboxylic acids of theOnobrychium section of the genusAstragalus

Identifiers

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

1 reference

3-O-Feruloylquinic acid (English)

9 October 2016

2 references

3-O-Feruloylquinic acid (English)

9 October 2016

ChEBI release 2020-09-01

CAS Registry Number

62929-69-5

1 reference

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

(1S,3R,4R,5R)-1,3,4-Trihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}cyclohexanecarboxylic acid (English)

9 October 2016

2 references

3-O-Feruloylquinic acid (English)

9 October 2016

ChEBI ID

86388

mapping relation type

2 references

3-O-feruloyl-D-quinic acid (English)

9 October 2016

International Chemical Identifier

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

1 reference

MSBNK-RIKEN_ReSpect-PM000307

CHEMBL3526659 (English)

9 October 2016

1 reference

MassBank accession ID

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

splash10-006x-0900000000-31c0bcc61ab4a886108d

0 references

DSSTox substance ID

DTXSID201310632

1 reference

Human Metabolome Database ID

HMDB0030669

2 references

inferred from InChIKey