Kaempferol-7-O-glucoside

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

ID: Reference8224

Other Names: 4H-1-Benzopyran-4-one, 7-(D-glucopyranosyloxy)-3,5-dihydroxy-2-(4-hydroxyphenyl)-;
3,5-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl D-glucopyranoside;
3,5-Dihydroxy-2-(4-hydroxyphenyl)-7-(((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one

Formula: C21H20O11

Spectral Data

Kaempferol-7-O-glucoside mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 2
No. of Spectra 1595
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/28/2018 8:35:04 AM
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Identificators

InChI InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21?/m1/s1
InChI Key YPWHZCPMOQGCDQ-CXWQUDHASA-N
Canonical SMILES C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O
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Other Names 4H-1-Benzopyran-4-one, 7-(D-glucopyranosyloxy)-3,5-dihydroxy-2-(4-hydroxyphenyl)-;
3,5-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl D-glucopyranoside;
3,5-Dihydroxy-2-(4-hydroxyphenyl)-7-(((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one

In Other Databases

ChEMBL CHEMBL1159471
PubChem 10275538
ChemSpider 8451016