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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H26O12
Molecular Weight 518.4667
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SESAMIN MONOCATECHOL 3-GLUCORONIDE

SMILES

O[C@H]1[C@H](OC2=C(O)C=CC(=C2)[C@H]3OC[C@H]4[C@@H]3CO[C@@H]4C5=CC=C6OCOC6=C5)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O

InChI

InChIKey=RMKFOYQWCPBNOH-BQGILHTCSA-N
InChI=1S/C25H26O12/c26-14-3-1-10(5-16(14)36-25-20(29)18(27)19(28)23(37-25)24(30)31)21-12-7-33-22(13(12)8-32-21)11-2-4-15-17(6-11)35-9-34-15/h1-6,12-13,18-23,25-29H,7-9H2,(H,30,31)/t12-,13-,18-,19-,20+,21+,22+,23-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H26O12
Molecular Weight 518.4667
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 05:20:14 GMT 2025
Edited
by admin
on Wed Apr 02 05:20:14 GMT 2025
Record UNII
HGA9J39FXN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SESAMIN MONOCATECHOL 3-GLUCORONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 5-((1S,3AR,4S,6AR)-4-(1,3-BENZODIOXOL-5-YL)TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1-YL)-2-HYDROXYPHENYL
Preferred Name English
Code System Code Type Description
CAS
1422248-72-3
Created by admin on Wed Apr 02 05:20:14 GMT 2025 , Edited by admin on Wed Apr 02 05:20:14 GMT 2025
PRIMARY
FDA UNII
HGA9J39FXN
Created by admin on Wed Apr 02 05:20:14 GMT 2025 , Edited by admin on Wed Apr 02 05:20:14 GMT 2025
PRIMARY
PUBCHEM
155804774
Created by admin on Wed Apr 02 05:20:14 GMT 2025 , Edited by admin on Wed Apr 02 05:20:14 GMT 2025
PRIMARY PUBCHEM
Related Record Type Details
PARENT -> METABOLITE