(Q104392961)

English

(2R,3R)-2-hydroxy-3-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxybutanedioic acid

chemical compound

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instance of

type of chemical entity

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subclass of

2-hydroxy-3-{[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid

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296.053217344 dalton

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based on heuristic

inferred from SMILES

stereoisomer of

(2R,3S)-trans-coutaric acid

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based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,3S)-2-hydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxybutanedioic acid

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based on heuristic

inferred from InChIKey

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(2R,3S)-cis-coutaric acid

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based on heuristic

inferred from InChI

chemical formula

C₁₃H₁₂O₈

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canonical SMILES

O=C(OC(C(=O)O)C(O)C(=O)O)C=CC1=CC=C(O)C=C1

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isomeric SMILES

O=C(/C=C\c1ccc(O)cc1)O[C@@H](C(=O)O)[C@@H](O)C(=O)O

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found in taxon

Vitis vinifera

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stated in

Polyphenolic composition of raisins

stated in

Extraction of Hydroxycinnamoyltartaric Acids from Berries of Different Grape Varieties

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Caftaric and coutaric acids in fruit of Vitis

Vitis aestivalis

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Caftaric and coutaric acids in fruit of Vitis

Vitis monticola

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Caftaric and coutaric acids in fruit of Vitis

Vitis cinerea

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Caftaric and coutaric acids in fruit of Vitis

Vitis arizonica

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Caftaric and coutaric acids in fruit of Vitis

Vitis labrusca

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Caftaric and coutaric acids in fruit of Vitis

Vitis treleasei

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Caftaric and coutaric acids in fruit of Vitis

Vitis mustangensis

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Caftaric and coutaric acids in fruit of Vitis

Vitis girdiana

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Caftaric and coutaric acids in fruit of Vitis

Vitis shuttleworthii

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Caftaric and coutaric acids in fruit of Vitis

Vitis amurensis

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Caftaric and coutaric acids in fruit of Vitis

Vitis californica

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Caftaric and coutaric acids in fruit of Vitis

Vitis novae-angliae

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Caftaric and coutaric acids in fruit of Vitis

Vitis doniana

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Caftaric and coutaric acids in fruit of Vitis

Vitis longii

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Caftaric and coutaric acids in fruit of Vitis

Vitis acerifolia

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Caftaric and coutaric acids in fruit of Vitis

Vitis riparia

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Caftaric and coutaric acids in fruit of Vitis

Vitis rupestris

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Caftaric and coutaric acids in fruit of Vitis

Vitis cordifolia

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Caftaric and coutaric acids in fruit of Vitis

Vitis vulpina

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Caftaric and coutaric acids in fruit of Vitis

Vitis rotundifolia

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Caftaric and coutaric acids in fruit of Vitis

Vitis giradiana

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Caftaric and coutaric acids in fruit of Vitis

Vitis cinerea var. helleri

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Caftaric and coutaric acids in fruit of Vitis

Identifiers

InChI

InChI=1S/C13H12O8/c14-8-4-1-7(2-5-8)3-6-9(15)21-11(13(19)20)10(16)12(17)18/h1-6,10-11,14,16H,(H,17,18)(H,19,20)/b6-3-/t10-,11-/m1/s1

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InChIKey

INYJZRKTYXTZHP-KQLCGWBMSA-N

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CAS Registry Number

67920-37-0

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stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

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17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

INYJZRKTYXTZHP-KQLCGWBMSA-N

1 reference

1 reference

matched by identifier from

InChIKey

INYJZRKTYXTZHP-KQLCGWBMSA-N

(Q104392961)

(2R,3R)-2-hydroxy-3-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxybutanedioic acid

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