U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H19O10
Molecular Weight 419.3589
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of CYANIDIN 3-ARABINOSIDE CATION

SMILES

O[C@H]1CO[C@@H](OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C4=CC=C(O)C(O)=C4)[C@H](O)[C@H]1O

InChI

InChIKey=KUCVMQMKRICXJC-DEYWJSPQSA-O
InChI=1S/C20H18O10/c21-9-4-12(23)10-6-16(30-20-18(27)17(26)14(25)7-28-20)19(29-15(10)5-9)8-1-2-11(22)13(24)3-8/h1-6,14,17-18,20,25-27H,7H2,(H3-,21,22,23,24)/p+1/t14-,17-,18+,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H18O10
Molecular Weight 418.3509
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 1
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
PHW58C53PO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYANIDIN-3-O-ARABINOSIDE CATION
Preferred Name English
CYANIDIN 3-ARABINOSIDE CATION
Common Name English
1-BENZOPYRYLIUM, 3-(.ALPHA.-L-ARABINOPYRANOSYLOXY)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-
Systematic Name English
1-BENZOPYRYLIUM, 3-(ARABINOSYLOXY)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-
Systematic Name English
Code System Code Type Description
PUBCHEM
12137509
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
FDA UNII
PHW58C53PO
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
792868-19-0
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
270078-44-9
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
EPA CompTox
DTXSID801346548
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