malvidin 3-galactoside (Q137253)

Malvidin 3-galactoside (English)

14 October 2016

chemical formula

C₂₃H₂₅ClO₁₂

1 reference

Malvidin 3-galactoside (English)

14 October 2016

canonical SMILES

COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)OC4C(C(C(C(O4)CO)O)O)O.[Cl-]

1 reference

Malvidin 3-galactoside (English)

14 October 2016

isomeric SMILES

COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O.[Cl-]

1 reference

Malvidin 3-galactoside (English)

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

14 October 2016

Identifiers

InChI

1 reference

Malvidin 3-galactoside (English)

14 October 2016

1 reference

Global Substance Registration System

Malvidin 3-galactoside (English)

14 October 2016

2 references

malvidin 3-galactoside (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=30113-37-2

9 April 2021

1 reference

Malvidin-3-O.beta.-galactoside chloride (English)

14 October 2016

2 references

Malvidin 3-galactoside (English)

14 October 2016

ChEBI ID

180741

mapping relation type

exact match

2 references

ChEBI release 2022-06-13

International Chemical Identifier

InChI

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

1 reference

1 reference

DSSTOX compound identifier

0 references

0 references

250-055-1

1 reference

Global Substance Registration System

malvidin 3-galactoside (English)

ECHA Substance Infocard ID

14 October 2016

100.045.490

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.045.490

27 December 2018

3-(galactosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium chloride (English)

quotation

CAS no.: 30113-37-2 (English)

2 references

Global Substance Registration System

malvidin 3-galactoside (English)

14 October 2016