U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H12O8
Molecular Weight 296.2296
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of COUTARIC ACID, TRANS-

SMILES

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

InChI

InChIKey=INYJZRKTYXTZHP-NNPIPJJVSA-N
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

HIDE SMILES / InChI

Molecular Formula C13H12O8
Molecular Weight 296.2296
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 Sat Dec 16 17:35:57 GMT 2023
Edited
by admin
on Sat Dec 16 17:35:57 GMT 2023
Record UNII
K874CF6AHR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COUTARIC ACID, TRANS-
Common Name English
COUTARIC ACID
Common Name English
BUTANEDIOIC ACID, 2-HYDROXY-3-(((2E)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-, (2R,3R)-
Systematic Name English
(2R,3R)-2-HYDROXY-3-(((2E)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)BUTANEDIOIC ACID
Systematic Name English
TARTARIC ACID, MONO(P-HYDROXYCINNAMATE), (E)-(+)-
Common Name English
TRANS-P-COUMAROYLTARTARIC ACID
Common Name English
Code System Code Type Description
PUBCHEM
57517924
Created by admin on Sat Dec 16 17:35:57 GMT 2023 , Edited by admin on Sat Dec 16 17:35:57 GMT 2023
PRIMARY
FDA UNII
K874CF6AHR
Created by admin on Sat Dec 16 17:35:57 GMT 2023 , Edited by admin on Sat Dec 16 17:35:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID80726998
Created by admin on Sat Dec 16 17:35:57 GMT 2023 , Edited by admin on Sat Dec 16 17:35:57 GMT 2023
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WIKIPEDIA
Coutaric acid
Created by admin on Sat Dec 16 17:35:57 GMT 2023 , Edited by admin on Sat Dec 16 17:35:57 GMT 2023
PRIMARY
CHEBI
77439
Created by admin on Sat Dec 16 17:35:57 GMT 2023 , Edited by admin on Sat Dec 16 17:35:57 GMT 2023
PRIMARY
CAS
27174-07-8
Created by admin on Sat Dec 16 17:35:57 GMT 2023 , Edited by admin on Sat Dec 16 17:35:57 GMT 2023
PRIMARY