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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H20O10
Molecular Weight 432.3775
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ISOLIQUIRITIGENIN GLUCURONIDE

SMILES

O[C@H]1[C@H](OC2=CC=C(\C=C\C(=O)C3=C(O)C=C(O)C=C3)C=C2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O

InChI

InChIKey=RBHAALOTDVZRJY-DQYPHISWSA-N
InChI=1S/C21H20O10/c22-11-4-7-13(15(24)9-11)14(23)8-3-10-1-5-12(6-2-10)30-21-18(27)16(25)17(26)19(31-21)20(28)29/h1-9,16-19,21-22,24-27H,(H,28,29)/b8-3+/t16-,17-,18+,19-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H20O10
Molecular Weight 432.3775
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:34:08 GMT 2023
Edited
by admin
on Sat Dec 16 16:34:08 GMT 2023
Record UNII
X87DCB9GST
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOLIQUIRITIGENIN GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-((1E)-3-(2,4-DIHYDROXYPHENYL)-3-OXO-1-PROPEN-1-YL)PHENYL
Systematic Name English
4-((1E)-3-(2,4-DIHYDROXYPHENYL)-3-OXO-1-PROPEN-1-YL)PHENYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
ISOLIQUIRITIGENIN METABOLITE MG3
Common Name English
Code System Code Type Description
PUBCHEM
156028036
Created by admin on Sat Dec 16 16:34:08 GMT 2023 , Edited by admin on Sat Dec 16 16:34:08 GMT 2023
PRIMARY
FDA UNII
X87DCB9GST
Created by admin on Sat Dec 16 16:34:08 GMT 2023 , Edited by admin on Sat Dec 16 16:34:08 GMT 2023
PRIMARY
CAS
1084629-06-0
Created by admin on Sat Dec 16 16:34:08 GMT 2023 , Edited by admin on Sat Dec 16 16:34:08 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
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