(Q27124996)

Vitexin 2''-O-beta-D-glucoside (English)

6 October 2016

chemical formula

C₂₇H₂₉O₁₅⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)[O-])O)O

1 reference

Vitexin 2''-O-beta-D-glucoside (English)

6 October 2016

isomeric SMILES

C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C(=C3O2)[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)CO)O)O)O)[O-])O)O

1 reference

Vitexin 2''-O-beta-D-glucoside (English)

InChI=1S/C27H30O15/c28-7-15-20(35)22(37)26(42-27-23(38)21(36)19(34)16(8-29)41-27)25(40-15)18-12(32)5-11(31)17-13(33)6-14(39-24(17)18)9-1-3-10(30)4-2-9/h1-6,15-16,19-23,25-32,34-38H,7-8H2/p-1/t15-,16-,19-,20-,21+,22+,23-,25+,26-,27+/m1/s1

6 October 2016

Identifiers

InChI

1 reference

Vitexin 2''-O-beta-D-glucoside (English)

FYTOTHFWELWOCG-OAFKVUNRSA-M

6 October 2016

InChIKey

2 references

Vitexin 2''-O-beta-D-glucoside (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(1S)-1,5-Anhydro-2-O-beta-D-glucopyranosyl-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxido-4-oxo-4H-chromen-8-yl]-D-glucitol (English)

6 October 2016

1 reference

Vitexin 2''-O-beta-D-glucoside (English)

6 October 2016

ChEBI ID

57842

mapping relation type

1 reference