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Details

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

SHOW SMILES / InChI
Structure of CAFFEOYLMALIC ACID

SMILES

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

InChI

InChIKey=PMKQSEYPLQIEAY-DUXPYHPUSA-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+

HIDE SMILES / InChI

Molecular Formula C13H12O8
Molecular Weight 296.2296
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:00:36 GMT 2023
Edited
by admin
on Sat Dec 16 18:00:36 GMT 2023
Record UNII
8EY7S5QS7D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CAFFEOYLMALIC ACID
Common Name English
BUTANEDIOIC ACID, 2-((3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-
Systematic Name English
COUMAROYL MALIC ACID
Common Name English
BUTANEDIOIC ACID, ((3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-
Systematic Name English
2-((3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)BUTANEDIOIC ACID
Systematic Name English
2-(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)BUTANEDIOIC ACID
Systematic Name English
2-O-CAFFEOYLMALIC ACID
Common Name English
BUTANEDIOIC ACID, 2-(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-
Systematic Name English
Code System Code Type Description
WIKIPEDIA
Caffeoylmalic acid
Created by admin on Sat Dec 16 18:00:37 GMT 2023 , Edited by admin on Sat Dec 16 18:00:37 GMT 2023
PRIMARY
FDA UNII
8EY7S5QS7D
Created by admin on Sat Dec 16 18:00:37 GMT 2023 , Edited by admin on Sat Dec 16 18:00:37 GMT 2023
PRIMARY
CAS
39015-77-5
Created by admin on Sat Dec 16 18:00:37 GMT 2023 , Edited by admin on Sat Dec 16 18:00:37 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
92344-57-5
Created by admin on Sat Dec 16 18:00:37 GMT 2023 , Edited by admin on Sat Dec 16 18:00:37 GMT 2023
PRIMARY
PUBCHEM
90471964
Created by admin on Sat Dec 16 18:00:37 GMT 2023 , Edited by admin on Sat Dec 16 18:00:37 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE