delphinidin 3-glucoside chloride (Q945655)

Delphinidol 3-glucoside (English)

delphinidin 3-galactoside

14 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₁ClO₁₂

1 reference

Delphinidol 3-glucoside (English)

14 October 2016

canonical SMILES

C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)OC4C(C(C(C(O4)CO)O)O)O.[Cl-]

1 reference

Delphinidol 3-glucoside (English)

14 October 2016

isomeric SMILES

C1=C(C=C(C(=C1O)O)O)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

Delphinidol 3-glucoside (English)

InChI=1S/C21H20O12.ClH/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7;/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27);1H/t15-,17-,18+,19-,21-;/m1./s1

14 October 2016

Identifiers

InChI

1 reference

Delphinidol 3-glucoside (English)

ZJWIIMLSNZOCBP-BTTVDUMLSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

Delphinidol 3-glucoside (English)

14 October 2016

2 references

UNII

474A9U89JS

delphinidin 3-glucoside chloride (English)

ZJWIIMLSNZOCBP-BTTVDUMLSA-N

14 October 2016

InChIKey

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=6906-38-3

1 reference

myrtillin-a (English)

14 October 2016

1 reference

Delphinidol 3-glucoside (English)

Global Substance Registration System

14 October 2016

ChEBI ID

189576

mapping relation type

exact match

1 reference

stated in

ChEBI release 2022-06-13

SureChEMBL ID

SCHEMBL675415

1 reference

based on heuristic

inferred from InChIKey

1 reference

1 reference

UNII

474A9U89JS