(Q104403723)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

5-O-Feruloylquinic acid

1 reference

based on heuristic

inferred from SMILES

mass

368.11073222 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

ethyl 3,4-dihydroxybenzoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

3-O-feruloyl-D-quinic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

3-feruloylquinic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₀O₉

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canonical SMILES

O=C(OC1CC(O)(C(=O)O)CC(O)C1O)C=CC2=CC=C(O)C(OC)=C2

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isomeric SMILES

COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O

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found in taxon

Coffea canephora

1 reference

stated in

Hydroxycinnamic Acid Derivatives andp-Coumaroyl-(L)-trypropban, A NovelHydroxycinnamic Acid Derivative, from Coffee Beans

Cussonia arborea

1 reference

stated in

Isolation from Cussonia barteri of 1'-O-chlorogenoylchlorogenic acid and 1'-O-chlorogenoylneochlorogenic acid, a new type of quinic acid esters

Foeniculum vulgare

1 reference

stated in

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

Artemisia annua

2 references

stated in

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

stated in

Phytochemical analysis of a herbal tea from Artemisia annua L.

Cymbopogon citratus

1 reference

stated in

Polyphenols from Cymbopogon citratus leaves as topical anti-inflammatory agents.

Prunus avium

1 reference

stated in

Postharvest changes in primary and secondary metabolites of sweet cherry cultivars induced by Monilinia laxa

Ruta graveolen

1 reference

stated in

Influence of harvest season on chemical composition and bioactivity of wild rue plant hydroalcoholic extracts

tomato

1 reference

stated in

A liquid chromatography-mass spectrometry-based metabolome database for tomato

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+/m0/s1

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InChIKey

RAGZUCNPTLULOL-LWOZFZEPSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

RAGZUCNPTLULOL-LWOZFZEPSA-N

1 reference

2 references

inferred from InChIKey

matched by identifier from

InChIKey

RAGZUCNPTLULOL-LWOZFZEPSA-N

Probes And Drugs ID

PD166564

0 references

(Q104403723)

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

Statements

Identifiers

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