8-Hydroxy-6-methoxy-2-oxo-2H-chromen-7-yl β-D-glucopyranoside

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Systematic / IUPAC Name: 8-Hydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

ID: Reference8221

Other Names: Isofraxoside;
2H-1-Benzopyran-2-one, 7-(β-D-glucopyranosyloxy)-8-hydroxy-6-methoxy-

Formula: C16H18O10

Spectral Data

8-Hydroxy-6-methoxy-2-oxo-2H-chromen-7-yl β-D-glucopyranoside 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 9/27/2018 11:24:39 AM
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Identificators

InChI InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)13(22)15(7)26-16-12(21)11(20)10(19)8(5-17)24-16/h2-4,8,10-12,16-17,19-22H,5H2,1H3/t8-,10-,11+,12-,16+/m1/s1
InChI Key RVWWDDKOKZXKCJ-ZOLYHUHESA-N
Canonical SMILES COC1=C(C(=C2C(=C1)C=CC(=O)O2)O)OC3C(C(C(C(O3)CO)O)O)O
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Other Names Isofraxoside;
2H-1-Benzopyran-2-one, 7-(β-D-glucopyranosyloxy)-8-hydroxy-6-methoxy-

In Other Databases

PubChem 11508953
ChemSpider 9683749