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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 of PHASELIC ACID, (-)-

SMILES

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

InChI

InChIKey=PMKQSEYPLQIEAY-XCRNYIDWSA-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-/m1/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 Sat Dec 16 19:05:18 GMT 2023
Edited
by admin
on Sat Dec 16 19:05:18 GMT 2023
Record UNII
W3PJ394QLY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHASELIC ACID, (-)-
Common Name English
BUTANEDIOIC ACID, (((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-, (2R)-
Systematic Name English
BUTANEDIOIC ACID, 2-(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-, (2R)-
Systematic Name English
(2R)-2-(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)BUTANEDIOIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
W3PJ394QLY
Created by admin on Sat Dec 16 19:05:18 GMT 2023 , Edited by admin on Sat Dec 16 19:05:18 GMT 2023
PRIMARY
CAS
423170-79-0
Created by admin on Sat Dec 16 19:05:18 GMT 2023 , Edited by admin on Sat Dec 16 19:05:18 GMT 2023
PRIMARY
PUBCHEM
92299542
Created by admin on Sat Dec 16 19:05:18 GMT 2023 , Edited by admin on Sat Dec 16 19:05:18 GMT 2023
PRIMARY
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