Systematic / IUPAC Name: 5-[7-(β-D-threo-Hexopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl β-D-threo-hexopyranoside
ID: Reference3423
Other Names: 4H-1-Benzopyran-4-one, 7-(β-D-threo-hexopyranosyloxy)-2-[3-(β-D-threo-hexopyranosyloxy)-4-hydroxyphenyl]-5-hydroxy-
Formula: C27H30O16
Class: Endogenous Metabolites
Luteolin-3',7-Diglucoside mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Elite |
No. of Spectral Trees | 1 |
No. of Spectra | 884 |
Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
Ionization Methods | NSI |
Analyzers | IT; FT |
Last Modification | 11/25/2015 1:35:37 PM |
InChI | InChI=1S/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2/t17?,18?,20-,21-,22+,23+,24?,25?,26-,27-/m1/s1 |
InChI Key | BISZYPSIZGKOFA-QYCDPOAQSA-N |
Canonical SMILES | C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O |
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Other Names | 4H-1-Benzopyran-4-one, 7-(β-D-threo-hexopyranosyloxy)-2-[3-(β-D-threo-hexopyranosyloxy)-4-hydroxyphenyl]-5-hydroxy- |