Ononin

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Systematic / IUPAC Name: 3-(4-Methoxyphenyl)-4-oxo-4H-chromen-7-yl β-D-glucopyranoside

ID: Reference8200

Other Names: Formononetin glucoside;
Formononetin-7-O-β-D-glucopyranoside;
Formononetin-7-O-glucoside;
3-(4-Methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;
3-(4-Methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one ; more

Formula: C22H22O9

Spectral Data

Ononin 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 1
No. of Spectra 155
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 9/11/2018 9:34:16 AM
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Identificators

InChI InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1
InChI Key MGJLSBDCWOSMHL-MIUGBVLSSA-N
Canonical SMILES COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O
CAS
Splash
Other Names Formononetin glucoside;
Formononetin-7-O-β-D-glucopyranoside;
Formononetin-7-O-glucoside;
3-(4-Methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;
3-(4-Methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one;
4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-3-(4-methoxyphenyl)-;
4H-1-Benzopyran-4-one,7-(b-D-glucopyranosyloxy)-3-(4-methoxyphenyl)-;
4'-Methoxyisoflavone-7-O-β-D-glucopyranoside

In Other Databases

ChemIDPlus 000486624
ChemSpider 391135
PubChem 442813
ChEMBL CHEMBL465980
ChEBI CHEBI:7775
KEGG C10509
Wikipedia Ononin