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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H19O11.Cl
Molecular Weight 470.811
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DELPHINIDIN 3-ARABINOSIDE

SMILES

[Cl-].O[C@H]1CO[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C4=CC(O)=C(O)C(O)=C4)[C@H](O)[C@H]1O

InChI

InChIKey=BQQCUFJAUJKCKH-GOWHUIJJSA-N
InChI=1S/C20H18O11.ClH/c21-8-3-10(22)9-5-15(31-20-18(28)17(27)13(25)6-29-20)19(30-14(9)4-8)7-1-11(23)16(26)12(24)2-7;/h1-5,13,17-18,20,25,27-28H,6H2,(H4-,21,22,23,24,26);1H/t13-,17-,18+,20-;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C20H18O11
Molecular Weight 434.3503
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 Sat Dec 16 09:17:01 GMT 2023
Edited
by admin
on Sat Dec 16 09:17:01 GMT 2023
Record UNII
8KIE206XHA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DELPHINIDIN 3-ARABINOSIDE
Common Name English
DELPHINIDIN-3-O-ARABINOSIDE
Common Name English
1-BENZOPYRYLIUM, 3-(.ALPHA.-L-ARABINOPYRANOSYLOXY)-5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-, CHLORIDE (1:1)
Systematic Name English
DELPHINIDIN 3-O-.ALPHA.-L-ARABINOPYRANOSIDE
Common Name English
DELPHINIDIN 3-.ALPHA.-L-ARABINOPYRANOSIDE
Common Name English
Code System Code Type Description
PUBCHEM
91810628
Created by admin on Sat Dec 16 09:17:01 GMT 2023 , Edited by admin on Sat Dec 16 09:17:01 GMT 2023
PRIMARY
CAS
171370-55-1
Created by admin on Sat Dec 16 09:17:01 GMT 2023 , Edited by admin on Sat Dec 16 09:17:01 GMT 2023
PRIMARY
FDA UNII
8KIE206XHA
Created by admin on Sat Dec 16 09:17:01 GMT 2023 , Edited by admin on Sat Dec 16 09:17:01 GMT 2023
PRIMARY
CAS
28500-01-8
Created by admin on Sat Dec 16 09:17:01 GMT 2023 , Edited by admin on Sat Dec 16 09:17:01 GMT 2023
NON-SPECIFIC SUBSTITUTION