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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H25O12
Molecular Weight 517.4588
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of Vitisin B

SMILES

COC1=CC(=CC(OC)=C1O)C2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C4=C5C(OC=C4)=CC(O)=CC5=[O+]2

InChI

InChIKey=ZFFLAEFKTXRRFR-FHBCLOHASA-O
InChI=1S/C25H24O12/c1-32-15-5-10(6-16(33-2)19(15)28)23-24(37-25-22(31)21(30)20(29)17(9-26)36-25)12-3-4-34-13-7-11(27)8-14(35-23)18(12)13/h3-8,17,20-22,25-26,29-31H,9H2,1-2H3,(H-,27,28)/p+1/t17-,20-,21+,22-,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H25O12
Molecular Weight 517.4588
Charge 1
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 Sat Dec 16 18:29:48 GMT 2023
Edited
by admin
on Sat Dec 16 18:29:48 GMT 2023
Record UNII
C3JJ5TC7LJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Vitisin B
Common Name English
8-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ4-pyrano[4,3,2-de][1]benzopyran-1-ylium
Systematic Name English
PYRANO(4,3,2-DE)-1-BENZOPYRYLIUM, 3-(.BETA.-D-GLUCOPYRANOSYLOXY)-8-HYDROXY-2-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-
Systematic Name English
3-(.BETA.-D-GLUCOPYRANOSYLOXY)-8-HYDROXY-2-(4-HYDROXY-3,5-DIMETHOXYPHENYL)PYRANO(4,3,2-DE)-1-BENZOPYRYLIUM
Systematic Name English
VITISIN B (VITIS VINIFERA)
Common Name English
MALVIDIN-3-GLUCOSIDE-4-VINYL
Systematic Name English
Code System Code Type Description
CAS
184362-10-5
Created by admin on Sat Dec 16 18:29:48 GMT 2023 , Edited by admin on Sat Dec 16 18:29:48 GMT 2023
PRIMARY
FDA UNII
C3JJ5TC7LJ
Created by admin on Sat Dec 16 18:29:48 GMT 2023 , Edited by admin on Sat Dec 16 18:29:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID301311376
Created by admin on Sat Dec 16 18:29:48 GMT 2023 , Edited by admin on Sat Dec 16 18:29:48 GMT 2023
PRIMARY
WIKIPEDIA
Vitisin B (pyranoanthocyanin)
Created by admin on Sat Dec 16 18:29:48 GMT 2023 , Edited by admin on Sat Dec 16 18:29:48 GMT 2023
PRIMARY
Related Record Type Details
IONIC MOIETY