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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H20O9
Molecular Weight 368.3353
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (-)-5-(3'-HYDROXYPHENYL)-.GAMMA.-VALEROLACTONE-3'-O-GLUCURONIDE

SMILES

[H][C@]3(CC1=CC(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=CC=C1)CCC(=O)O3

InChI

InChIKey=DPSUQBKEHXAIDY-BOHPSUBWSA-N
InChI=1S/C17H20O9/c18-11-5-4-10(24-11)7-8-2-1-3-9(6-8)25-17-14(21)12(19)13(20)15(26-17)16(22)23/h1-3,6,10,12-15,17,19-21H,4-5,7H2,(H,22,23)/t10-,12+,13+,14-,15+,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H20O9
Molecular Weight 368.3353
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:14:33 UTC 2023
Edited
by admin
on Sat Dec 16 08:14:33 UTC 2023
Record UNII
GL7LQ483RP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(-)-5-(3'-HYDROXYPHENYL)-.GAMMA.-VALEROLACTONE-3'-O-GLUCURONIDE
Common Name English
(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(3-(((R)-5-OXOTETRAHYDROFURAN-2-YL)METHYL)PHENOXY)TETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
Systematic Name English
5-(3'-HYDROXYPHENYL)-.GAMMA.-VALEROLACTONE-3'-O-GLUCURONIDE
Common Name English
5-(3-HYDROXYPHENYL)-VALEROLACTONE GLUCURONIDE
Common Name English
Code System Code Type Description
PUBCHEM
140285616
Created by admin on Sat Dec 16 08:14:33 UTC 2023 , Edited by admin on Sat Dec 16 08:14:33 UTC 2023
PRIMARY
FDA UNII
GL7LQ483RP
Created by admin on Sat Dec 16 08:14:33 UTC 2023 , Edited by admin on Sat Dec 16 08:14:33 UTC 2023
PRIMARY
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