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Details

Stereochemistry ACHIRAL
Molecular Formula C23H25O12.Cl
Molecular Weight 528.89
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MALVIDIN 3-GALACTOSIDE

SMILES

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

InChI

InChIKey=YDIKCZBMBPOGFT-PWUSVEHZSA-N
InChI=1S/C23H24O12.ClH/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23;/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27);1H/t17-,19+,20+,21-,23-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C23H24O12
Molecular Weight 492.4295
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
MB4022065G
Record Status Validated (UNII)
Record Version