cyanidin 3-sambubioside chloride (Q9333097)

Sambicyanin (English)

21 September 2016

chemical formula

C₂₆H₂₉ClO₁₅

1 reference

Sambicyanin (English)

21 September 2016

canonical SMILES

C1C(C(C(C(O1)OC2C(C(C(OC2OC3=C([O+]=C4C=C(C=C(C4=C3)O)O)C5=CC(=C(C=C5)O)O)CO)O)O)O)O)O.[Cl-]

1 reference

Sambicyanin (English)

21 September 2016

isomeric SMILES

C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C([O+]=C4C=C(C=C(C4=C3)O)O)C5=CC(=C(C=C5)O)O)CO)O)O)O)O)O.[Cl-]

1 reference

Sambicyanin (English)

InChI=1S/C26H28O15.ClH/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9;/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31);1H/t15-,18-,19+,20-,21+,22-,24-,25+,26-;/m1./s1

21 September 2016

Identifiers

InChI

1 reference

Sambicyanin (English)

21 September 2016

1 reference

Sambicyanin (English)

21 September 2016

1 reference

https://commonchemistry.cas.org/detail?cas_rn=33012-73-6

8 April 2021

1 reference

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside chloride (English)

21 September 2016

2 references

Sambicyanin (English)

matched by identifier from

21 September 2016

matched by identifier from

1 reference

1 reference

DSSTOX compound identifier

DTXCID401382643

0 references

UNII

4BIT5WSL15

1 reference

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