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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H17NO8
Molecular Weight 351.3081
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of INDOLE-3-ACETIC ACID-O-GLUCURONIDE

SMILES

O[C@@H]1[C@@H](O)[C@H](OC(=O)CC2=CNC3=C2C=CC=C3)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=BPTLUNCVRGWZSW-JHZZJYKESA-N
InChI=1S/C16H17NO8/c18-10(5-7-6-17-9-4-2-1-3-8(7)9)24-16-13(21)11(19)12(20)14(25-16)15(22)23/h1-4,6,11-14,16-17,19-21H,5H2,(H,22,23)/t11-,12-,13+,14-,16+/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H17NO8
Molecular Weight 351.3081
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 Sat Dec 16 08:29:44 UTC 2023
Edited
by admin
on Sat Dec 16 08:29:44 UTC 2023
Record UNII
29643CS3GB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
INDOLE-3-ACETIC ACID-O-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-(1H-INDOLE-3-ACETATE)
Common Name English
INDOL-3-YLACETIC ACID .BETA.-D-GLUCURONIDE
Common Name English
(2S,3S,4S,5R,6S)-6-(2-(1H-INDOL-3-YL)ACETOXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
Systematic Name English
INDOLYLACETYLGLUCURONIDE
Common Name English
INDOLE-3-ACETIC ACID, GLUCURONOSYL ESTER
Common Name English
Code System Code Type Description
FDA UNII
29643CS3GB
Created by admin on Sat Dec 16 08:29:44 UTC 2023 , Edited by admin on Sat Dec 16 08:29:44 UTC 2023
PRIMARY
PUBCHEM
124202110
Created by admin on Sat Dec 16 08:29:44 UTC 2023 , Edited by admin on Sat Dec 16 08:29:44 UTC 2023
PRIMARY
CAS
50409-89-7
Created by admin on Sat Dec 16 08:29:44 UTC 2023 , Edited by admin on Sat Dec 16 08:29:44 UTC 2023
PRIMARY
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