(Q27252281)

inferred from SMILES

mass

368.111±0 dalton

1 reference

UNII-1DG2CT594J (English)

3-O-feruloyl-D-quinic acid

14 October 2016

stereoisomer of

2 references

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

inferred from InChI

2 references

ethyl 3,4-dihydroxybenzoate

inferred from InChI

1 reference

inferred from InChI

chemical formula

C₁₇H₂₀O₉

1 reference

UNII-1DG2CT594J (English)

14 October 2016

canonical SMILES

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

1 reference

UNII-1DG2CT594J (English)

14 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

Phenolcarboxylic acids of theOnobrychium section of the genusAstragalus

UNII-1DG2CT594J (English)

14 October 2016

1 reference

Coffea

1 reference

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

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

1 reference

Quinic acid esters of hydroxycinnamic acids in stone and pome fruit

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

Vaccinium dunalianum

1 reference

Caffeoyl arbutin and related compounds from the buds of Vaccinium dunalianum

Nicotiana tabacum

1 reference

Phenylpropanoid Defences in Nicotiana tabacum Cells: Overlapping Metabolomes Indicate Common Aspects to Priming Responses Induced by Lipopolysaccharides, Chitosan and Flagellin-22

Foeniculum vulgare

1 reference

Separation and characterization of phenolic compounds in fennel (Foeniculum vulgare) using liquid chromatography-negative electrospray ionization tandem mass spectrometry.

Artemisia annua

2 references

Artemisia annua L.: Essential oil and acetone extract composition and antioxidant capacity

Phytochemical analysis of a herbal tea from Artemisia annua L.

common sunflower

1 reference

Identification and quantification of phenolic compounds from sunflower (Helianthus annuus L.) kernels and shells by HPLC-DAD/ESI-MSn

Astragalus onobrychis

1 reference

Phenolcarboxylic acids of theOnobrychium section of the genusAstragalus

Malus pumila

1 reference

Quinic acid esters of hydroxycinnamic acids in stone and pome fruit

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

UNII-1DG2CT594J (English)

RAGZUCNPTLULOL-KQJPBSFVSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-1DG2CT594J (English)

14 October 2016

1 reference

UNII

1DG2CT594J

3-feruloylquinic acid (English)

14 October 2016

1 reference

3-Feruloylquinic acid (English)

14 October 2016

1 reference

UNII-1DG2CT594J (English)

14 October 2016

ChEBI ID

176348

mapping relation type

exact match

1 reference

splash10-002b-0900000000-d25846197697037c4f8d

ChEBI release 2022-06-13

1 reference

0 references

Human Metabolome Database ID

HMDB0240478

1 reference

KNApSAcK ID

C00052735

1 reference

C00063246

1 reference

UNII

1DG2CT594J

1 reference

Global Substance Registration System

UNII

1DG2CT594J

3-feruloylquinic acid (English)