(Q5114535)

Kuromanin chloride (English)

14 October 2016

chemical formula

C₂₁H₂₁ClO₁₁

1 reference

Kuromanin chloride (English)

14 October 2016

canonical SMILES

C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O.[Cl-]

1 reference

Kuromanin chloride (English)

14 October 2016

isomeric SMILES

C1=CC(=C(C=C1C2=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)O)O.[Cl-]

1 reference

Kuromanin chloride (English)

InChI=1S/C21H20O11.ClH/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8;/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26);1H/t16-,17-,18+,19-,21-;/m1./s1

14 October 2016

schematic

UV visible spectrum cyanidin3G.PNG
1,145 × 348; 12 KB

0 references

Identifiers

InChI

1 reference

Kuromanin chloride (English)

YTMNONATNXDQJF-UBNZBFALSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

Kuromanin chloride (English)

14 October 2016

2 references

UNII

8X15R84UEM

cyanidin 3-glucoside chloride (English)

YTMNONATNXDQJF-UBNZBFALSA-N

14 October 2016

InChIKey

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=7084-24-4

1 reference

Kuromanin (English)

14 October 2016

1 reference

Global Substance Registration System

Kuromanin chloride (English)

14 October 2016

1 reference

230-384-7

1 reference

stated in

UNII

8X15R84UEM

cyanidin 3-glucoside chloride (English)

ECHA Substance Infocard ID

14 October 2016

100.027.622

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.027.622

27 December 2018

Human Metabolome Database ID

2-(3,4-dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-1-benzopyrylium chloride (English)

quotation

CAS no.: 7084-24-4 (English)

0 references

0 references

1 reference

Global Substance Registration System

UNII

8X15R84UEM