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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H25O14
Molecular Weight 561.4683
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of Malvidin 3-glucoside 4-pyruvic acid

SMILES

COC1=CC(=CC(OC)=C1O)C2=[O+]C3=C4C(OC(=CC4=C2O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(O)=O)=CC(O)=C3

InChI

InChIKey=QVULQDHVHOUFCX-AQFMKAHKSA-O
InChI=1S/C26H24O14/c1-35-14-3-9(4-15(36-2)19(14)29)23-24(40-26-22(32)21(31)20(30)17(8-27)39-26)11-7-16(25(33)34)37-12-5-10(28)6-13(38-23)18(11)12/h3-7,17,20-22,26-27,30-32H,8H2,1-2H3,(H2-,28,29,33,34)/p+1/t17-,20-,21+,22-,26+/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H25O14
Molecular Weight 561.4683
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 Wed Apr 02 12:04:16 GMT 2025
Edited
by admin
on Wed Apr 02 12:04:16 GMT 2025
Record UNII
BN67QKC5VX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Malvidin 3-glucoside 4-pyruvic acid
Common Name English
5-Carboxy-3-(?-D-glucopyranosyloxy)-8-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)pyrano[4,3,2-de]-1-benzopyrylium
Preferred Name English
Pyrano[4,3,2-de]-1-benzopyrylium, 5-carboxy-3-(?-D-glucopyranosyloxy)-8-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-
Systematic Name English
Code System Code Type Description
FDA UNII
BN67QKC5VX
Created by admin on Wed Apr 02 12:04:16 GMT 2025 , Edited by admin on Wed Apr 02 12:04:16 GMT 2025
PRIMARY
CAS
388089-38-1
Created by admin on Wed Apr 02 12:04:16 GMT 2025 , Edited by admin on Wed Apr 02 12:04:16 GMT 2025
PRIMARY
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