4-(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-2,3-DIHYDROXYBUTANOIC ACID, (2R,3S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H14O8
Molecular Weight	298.2455
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 4-(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-2,3-DIHYDROXYBUTANOIC ACID, (2R,3S)-

Structure Search

SMILES

O[C@@H](COC(=O)\C=C\C1=CC(O)=C(O)C=C1)[C@@H](O)C(O)=O

InChI

InChIKey=UBEKSSIWKHCGBJ-YAQYBTLWSA-N

InChI=1S/C13H14O8/c14-8-3-1-7(5-9(8)15)2-4-11(17)21-6-10(16)12(18)13(19)20/h1-5,10,12,14-16,18H,6H2,(H,19,20)/b4-2+/t10-,12+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C13H14O8
Molecular Weight	298.2455
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:41:37 GMT 2025` Edited by `admin` on `Mon Mar 31 21:41:37 GMT 2025`
Record UNII	VGP9GW75GD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(-)-4-(E)-CAFFEOYL-L-THREONIC ACID

Preferred Name

English

4-(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-2,3-DIHYDROXYBUTANOIC ACID, (2R,3S)-

Systematic Name

English

BUTANOIC ACID, 4-(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-2,3-DIHYDROXY-, (2R,3S)-

Systematic Name

English

BUTANOIC ACID, 4-((3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-2,3-DIHYDROXY-, (R-(R*,S*-(E)))-

Common Name

English

BUTANOIC ACID, 4-(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-2,3-DIHYDROXY-, (2R,3S)-

Common Name

English

Code System Code Type Description

PUBCHEM

101647892

Created by admin on Mon Mar 31 21:41:37 GMT 2025 , Edited by admin on Mon Mar 31 21:41:37 GMT 2025

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CAS

147199-44-8

Created by admin on Mon Mar 31 21:41:37 GMT 2025 , Edited by admin on Mon Mar 31 21:41:37 GMT 2025

PRIMARY

FDA UNII

VGP9GW75GD

Created by admin on Mon Mar 31 21:41:37 GMT 2025 , Edited by admin on Mon Mar 31 21:41:37 GMT 2025

PRIMARY

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