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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H14O9
Molecular Weight 302.2342
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PYROGALLOL-2-O-GLUCURONIDE

SMILES

O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC2=C(O)C=CC=C2O)C(O)=O

InChI

InChIKey=SOHXEAWMMVSJFL-COGRHJPHSA-N
InChI=1S/C12H14O9/c13-4-2-1-3-5(14)9(4)20-12-8(17)6(15)7(16)10(21-12)11(18)19/h1-3,6-8,10,12-17H,(H,18,19)/t6-,7-,8+,10-,12+/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H14O9
Molecular Weight 302.2342
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 08:14:34 UTC 2023
Edited
by admin
on Sat Dec 16 08:14:34 UTC 2023
Record UNII
P444QP2L58
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PYROGALLOL-2-O-GLUCURONIDE
Common Name English
(2S,3S,4S,5R,6S)-6-(2,6-DIHYDROXYPHENOXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
Systematic Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2,6-DIHYDROXYPHENYL
Common Name English
Code System Code Type Description
PUBCHEM
122553541
Created by admin on Sat Dec 16 08:14:34 UTC 2023 , Edited by admin on Sat Dec 16 08:14:34 UTC 2023
PRIMARY
CAS
1391848-79-5
Created by admin on Sat Dec 16 08:14:34 UTC 2023 , Edited by admin on Sat Dec 16 08:14:34 UTC 2023
PRIMARY
FDA UNII
P444QP2L58
Created by admin on Sat Dec 16 08:14:34 UTC 2023 , Edited by admin on Sat Dec 16 08:14:34 UTC 2023
PRIMARY
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