PHASELIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H12O8
Molecular Weight	296.2296
Optical Activity	( + )
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=PMKQSEYPLQIEAY-YWNRKNDBSA-N

InChI=1S/C13H12O8/c14-8-3-1-7(5-9(8)15)2-4-12(18)21-10(13(19)20)6-11(16)17/h1-5,10,14-15H,6H2,(H,16,17)(H,19,20)/b4-2+/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C13H12O8
Molecular Weight	296.2296
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 21:30:55 UTC 2023` Edited by `admin` on `Fri Dec 15 21:30:55 UTC 2023`
Record UNII	JM4XGQ54UF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PHASELIC ACID

Common Name

English

(+)-(E)-CAFFEOYL-L-MALIC ACID

Common Name

English

BUTANEDIOIC ACID, (((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-, (2S)-

Systematic Name

English

BUTANEDIOIC ACID, ((3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-, (S-(E))-

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

53755-04-7

Created by admin on Fri Dec 15 21:30:55 UTC 2023 , Edited by admin on Fri Dec 15 21:30:55 UTC 2023

PRIMARY

PUBCHEM

5281786

Created by admin on Fri Dec 15 21:30:55 UTC 2023 , Edited by admin on Fri Dec 15 21:30:55 UTC 2023

PRIMARY

FDA UNII

JM4XGQ54UF

Created by admin on Fri Dec 15 21:30:55 UTC 2023 , Edited by admin on Fri Dec 15 21:30:55 UTC 2023

PRIMARY

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