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Details

Stereochemistry ACHIRAL
Molecular Formula C13H16O7
Molecular Weight 284.2619
Optical Activity ( - )
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Cresol glucuronide

SMILES

CC1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1

InChI

InChIKey=JPAUCQAJHLSMQW-XPORZQOISA-N
InChI=1S/C13H16O7/c1-6-2-4-7(5-3-6)19-13-10(16)8(14)9(15)11(20-13)12(17)18/h2-5,8-11,13-16H,1H3,(H,17,18)/t8-,9-,10+,11-,13+/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H16O7
Molecular Weight 284.2619
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:07:59 GMT 2025
Edited
by admin
on Mon Mar 31 19:07:59 GMT 2025
Record UNII
E8HU4R7D2E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Cresol glucuronide
Common Name English
p-Cresol glucuronide
Preferred Name English
?-D-Glucopyranosiduronic acid, 4-methylphenyl
Systematic Name English
4-Methylphenyl ?-D-glucopyranosiduronic acid
Systematic Name English
Code System Code Type Description
FDA UNII
E8HU4R7D2E
Created by admin on Mon Mar 31 19:07:59 GMT 2025 , Edited by admin on Mon Mar 31 19:07:59 GMT 2025
PRIMARY
CAS
17680-99-8
Created by admin on Mon Mar 31 19:07:59 GMT 2025 , Edited by admin on Mon Mar 31 19:07:59 GMT 2025
PRIMARY
EPA CompTox
DTXSID40170195
Created by admin on Mon Mar 31 19:07:59 GMT 2025 , Edited by admin on Mon Mar 31 19:07:59 GMT 2025
PRIMARY
PUBCHEM
154035
Created by admin on Mon Mar 31 19:07:59 GMT 2025 , Edited by admin on Mon Mar 31 19:07:59 GMT 2025
PRIMARY