isovitexin 2''-O-beta-D-glucoside(1-) (Q27125199)

CHEBI:58124 (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)O)C4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)[O-])O

1 reference

CHEBI:58124 (English)

6 October 2016

isomeric SMILES

C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)[O-])O

1 reference

CHEBI:58124 (English)

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

6 October 2016

Identifiers

InChI

1 reference

CHEBI:58124 (English)

RQTTXGQDIROLTQ-FLJXCGGLSA-M

6 October 2016

InChIKey

2 references

CHEBI:58124 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(1S)-1,5-Anhydro-2-O-D-glucopyranosyl-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxido-4-oxo-4H-chromen-6-yl]-D-glucitol (English)

6 October 2016

2 references

CHEBI:58124 (English)

matched by identifier from

6 October 2016

InChIKey

RQTTXGQDIROLTQ-FLJXCGGLSA-M

ChEBI ID

58124

mapping relation type

2 references

isovitexin 2''-O-beta-D-glucoside(1-) (English)