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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H14O8
Molecular Weight 298.2455
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZOYL GLUCURONIDE

SMILES

O[C@H]1[C@H](OC(=O)C2=CC=CC=C2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O

InChI

InChIKey=NLOPFVNXNMEEDI-UNLLLRGISA-N
InChI=1S/C13H14O8/c14-7-8(15)10(11(17)18)20-13(9(7)16)21-12(19)6-4-2-1-3-5-6/h1-5,7-10,13-16H,(H,17,18)/t7-,8-,9+,10-,13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H14O8
Molecular Weight 298.2455
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Structure-activity relationships for degradation reaction of 1-beta-o-acyl glucuronides: kinetic description and prediction of intrinsic electrophilic reactivity under physiological conditions.
2009 Jan
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:59:51 UTC 2023
Edited
by admin
on Fri Dec 15 18:59:51 UTC 2023
Record UNII
OC94T61O9A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZOYL GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-BENZOATE
Systematic Name English
GLUCOPYRANURONIC ACID, 1-BENZOATE, .BETA.-D-
Systematic Name English
BENZOIC ACID .BETA.-D-GLUCURONIDE
Common Name English
BENZOIC ACID GLUCURONIDE
Common Name English
BENZOYL-.BETA.-D-GLUCURONIDE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID90940901
Created by admin on Fri Dec 15 18:59:51 UTC 2023 , Edited by admin on Fri Dec 15 18:59:51 UTC 2023
PRIMARY
FDA UNII
OC94T61O9A
Created by admin on Fri Dec 15 18:59:51 UTC 2023 , Edited by admin on Fri Dec 15 18:59:51 UTC 2023
PRIMARY
PUBCHEM
115145
Created by admin on Fri Dec 15 18:59:51 UTC 2023 , Edited by admin on Fri Dec 15 18:59:51 UTC 2023
PRIMARY
CAS
19237-53-7
Created by admin on Fri Dec 15 18:59:51 UTC 2023 , Edited by admin on Fri Dec 15 18:59:51 UTC 2023
PRIMARY
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