6-O-Methylscutellarin

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Systematic / IUPAC Name: 5-Hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl β-D-glucopyranosiduronic acid

ID: Reference8141

Other Names: 4H-1-Benzopyran-4-one, 7-(β-D-glucopyranuronosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-;
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid

Formula: C22H20O12

Spectral Data

6-O-Methylscutellarin 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 8/8/2018 12:42:02 PM
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Identificators

InChI InChI=1S/C22H20O12/c1-31-19-13(33-22-18(28)16(26)17(27)20(34-22)21(29)30)7-12-14(15(19)25)10(24)6-11(32-12)8-2-4-9(23)5-3-8/h2-7,16-18,20,22-23,25-28H,1H3,(H,29,30)/t16-,17-,18+,20-,22+/m0/s1
InChI Key GVEZRDBRYNJUDQ-QSUZLTIMSA-N
Canonical SMILES COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)C(=O)O)O)O)O
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Other Names 4H-1-Benzopyran-4-one, 7-(β-D-glucopyranuronosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-;
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid

In Other Databases

ChemSpider 21542558
PubChem 5318059