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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H23O11
Molecular Weight 463.4114
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of MALVIDIN 3-ARABINOSIDE CATION

SMILES

COC1=CC(=CC(OC)=C1O)C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O

InChI

InChIKey=ZWAAFZOEMBEAAF-TXOAXZHWSA-O
InChI=1S/C22H22O11/c1-29-15-3-9(4-16(30-2)19(15)27)21-17(33-22-20(28)18(26)13(25)8-31-22)7-11-12(24)5-10(23)6-14(11)32-21/h3-7,13,18,20,22,25-26,28H,8H2,1-2H3,(H2-,23,24,27)/p+1/t13-,18-,20+,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H22O11
Molecular Weight 462.4035
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:13:38 GMT 2025
Edited
by admin
on Mon Mar 31 23:13:38 GMT 2025
Record UNII
92990B3W03
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MALVIDIN 3-ARABINOSIDE CATION
Common Name English
MALVIDIN-3-O-ARABINOSIDE CATION
Preferred Name English
1-BENZOPYRYLIUM, 3-(.ALPHA.-L-ARABINOPYRANOSYLOXY)-5,7-DIHYDROXY-2-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-
Systematic Name English
1-BENZOPYRYLIUM, 3-(ARABINOSYLOXY)-5,7-DIHYDROXY-2-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
92990B3W03
Created by admin on Mon Mar 31 23:13:38 GMT 2025 , Edited by admin on Mon Mar 31 23:13:38 GMT 2025
PRIMARY
CAS
743361-04-8
Created by admin on Mon Mar 31 23:13:38 GMT 2025 , Edited by admin on Mon Mar 31 23:13:38 GMT 2025
NON-SPECIFIC SUBSTITUTION
PUBCHEM
12137511
Created by admin on Mon Mar 31 23:13:38 GMT 2025 , Edited by admin on Mon Mar 31 23:13:38 GMT 2025
PRIMARY
CAS
785047-89-4
Created by admin on Mon Mar 31 23:13:38 GMT 2025 , Edited by admin on Mon Mar 31 23:13:38 GMT 2025
PRIMARY
CAS
863107-21-5
Created by admin on Mon Mar 31 23:13:38 GMT 2025 , Edited by admin on Mon Mar 31 23:13:38 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
EPA CompTox
DTXSID601341485
Created by admin on Mon Mar 31 23:13:38 GMT 2025 , Edited by admin on Mon Mar 31 23:13:38 GMT 2025
PRIMARY