Astragalin

enlarge

Systematic / IUPAC Name: 5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

ID: Reference8165

Other Names: 3-Glucosylkaempferol;
3-O-b-D-Glucopyranoside;
Asragalin;
Astragaline;
Kaempferol 3-glucoside ; more

Formula: C21H20O11

Spectral Data

Astragalin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 155
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 8/22/2018 9:30:39 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1
InChI Key JPUKWEQWGBDDQB-QSOFNFLRSA-N
Canonical SMILES C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O
CAS
Splash
Other Names 3-Glucosylkaempferol;
3-O-b-D-Glucopyranoside;
Asragalin;
Astragaline;
Kaempferol 3-glucoside;
Kaempferol 3-O-β-D-glucopyranoside;
Kaempferol 3-O-β-D-glucoside;
Kaempferol 3-O-glucoside;
Kaempferol-3-β-glucopyranoside;
Kaempferol-3-β-monoglucoside;
Kaempferol-3-D-glucoside;
Kaempferol-3-glucoside;
Kaempferol-3-O-β-D-glucopyranoside;
Kaempferol-3-O-β-glucopyranoside;
Kaempferol-3-O-glucoside;
3-(β-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one;
3,4',5,7-Tetrahydroxyflavone-3-glucoside;
3-O-b-D-Glucopyranosyloxy-4',5,7-trihydroxyflavone;
4H-1-Benzopyran-4-one, 3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-;
4H-1-Benzopyran-4-one,3-(b-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-;
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one;
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one;
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one;
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl β-D-glucopyranoside

In Other Databases

PubChem 5282102
HMDb HMDB37429
ChEMBL CHEMBL233930
ChemSpider 4445311
ChemIDPlus 000480104
KEGG C12249
ChEBI CHEBI:30200
Wikipedia Astragalin