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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H21O10
Molecular Weight 433.3854
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of PELARGONIDIN 3-GALACTOSIDE ION

SMILES

OC[C@H]1O[C@@H](OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C4=CC=C(O)C=C4)[C@H](O)[C@@H](O)[C@H]1O

InChI

InChIKey=ABVCUBUIXWJYSE-WVXKDWSHSA-O
InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1/t16-,17+,18+,19-,21-/m1/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 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:57:46 GMT 2025
Edited
by admin
on Mon Mar 31 22:57:46 GMT 2025
Record UNII
MO0T4FQZ8J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PELARGONIDIN 3-GALACTOSIDE ION
Common Name English
1-BENZOPYRYLIUM, 3-(.BETA.-D-GALACTOPYRANOSYLOXY)-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-
Preferred Name English
PELARGONIDIN 3-GALACTOSIDE CATION
Common Name English
Code System Code Type Description
CAS
197451-24-4
Created by admin on Mon Mar 31 22:57:46 GMT 2025 , Edited by admin on Mon Mar 31 22:57:46 GMT 2025
PRIMARY
PUBCHEM
5320457
Created by admin on Mon Mar 31 22:57:46 GMT 2025 , Edited by admin on Mon Mar 31 22:57:46 GMT 2025
PRIMARY
FDA UNII
MO0T4FQZ8J
Created by admin on Mon Mar 31 22:57:46 GMT 2025 , Edited by admin on Mon Mar 31 22:57:46 GMT 2025
PRIMARY