(Q27131021)

cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside (English)

7 October 2016

chemical formula

C₂₇H₂₈O₁₇

1 reference

cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside (English)

7 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)OC5C(C(C(C(O5)C(=O)[O-])O)O)O)O)O

1 reference

cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside (English)

7 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[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O)O)O

1 reference

cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside (English)

InChI=1S/C27H28O17/c28-7-16-17(33)19(35)24(44-26-21(37)18(34)20(36)23(43-26)25(38)39)27(42-16)41-15-6-10-12(31)4-9(29)5-14(10)40-22(15)8-1-2-11(30)13(32)3-8/h1-6,16-21,23-24,26-28,33-37H,7H2,(H4-,29,30,31,32,38,39)/t16-,17-,18+,19+,20+,21-,23+,24-,26+,27-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside (English)

QLKOQFLYESIQLL-ZJNQYPEASA-N

7 October 2016

InChIKey

2 references

cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

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

7 October 2016

2 references

cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside (English)

matched by identifier from

7 October 2016

InChIKey

QLKOQFLYESIQLL-ZJNQYPEASA-N

ChEBI ID

61317

mapping relation type

2 references

cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside betaine (English)