4-O-feruloyl-D-quinic acid (Q27102761)

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

5 October 2016

stereoisomer of

4-O-Feruloyl quinic acid

1 reference

(1S,3R,4S,5R)-1,3,5-trihydroxy-4-{[(2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

inferred from InChI

2 references

(3R,5R)-1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

inferred from InChI

2 references

inferred from InChI

chemical formula

C₁₇H₂₀O₉

0 references

canonical SMILES

COC=1C=C(C=CC1O)C(=C(C(=O)OC2(C(CC(CC2(O)[H])(C(=O)O)O)(O)[H])[H])[H])[H]

1 reference

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

5 October 2016

isomeric SMILES

COC=1C=C(C=CC1O)\C(=C(\C(=O)O[C@@]2([C@@](C[C@](C[C@]2(O)[H])(C(=O)O)O)(O)[H])[H])/[H])\[H]

1 reference

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

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

5 October 2016

1 reference

Coffea canephora

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

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

Onobrychis viciifolia

1 reference

Identification and quantification of phenolic compounds from the forage legume sainfoin ( Onobrychis viciifolia ).

Coffea

1 reference

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

Malus pumila

1 reference

Quinic acid esters of hydroxycinnamic acids in stone and pome fruit

Identifiers

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)/b5-3+/t11-,12-,15-,17+/m1/s1

1 reference

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

VTMFDSJJVNQXLT-KSQYBWRXSA-N

5 October 2016

InChIKey

2 references

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

5 October 2016

ChEBI release 2020-09-01

1 reference

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

5 October 2016

Reaxys registry number

2779349

1 reference

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

5 October 2016

ChEBI ID

18013

mapping relation type

2 references

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

5 October 2016

International Chemical Identifier

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)/b5-3+/t11-,12-,15-,17+/m1/s1

176888

mapping relation type

exact match

1 reference

International Chemical Identifier

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)/b5-3+/t11-,12-,15-,17+/m1/s1

SPLASH

splash10-0006-0819000000-8d96b3b222533e8a9357

0 references

Human Metabolome Database ID

HMDB0240453

2 references

VTMFDSJJVNQXLT-KSQYBWRXSA-N

InChIKey

KNApSAcK ID

C00063524

2 references