2-Oxo-2H-chromen-7-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside

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Systematic / IUPAC Name: 7-((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl}oxan-2-yl)oxychromen-2-one

ID: Reference8033

Other Names: 2H-1-Benzopyran-2-one, 7-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-

Formula: C20H24O12

Spectral Data

2-Oxo-2H-chromen-7-yl 6-O-β-D-xylopyranosyl-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 393
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 6/6/2018 8:41:57 AM
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Identificators

InChI InChI=1S/C20H24O12/c21-10-6-28-19(17(26)14(10)23)29-7-12-15(24)16(25)18(27)20(32-12)30-9-3-1-8-2-4-13(22)31-11(8)5-9/h1-5,10,12,14-21,23-27H,6-7H2/t10-,12-,14+,15-,16+,17-,18-,19+,20-/m1/s1
InChI Key FCJIWTZAADYCGI-LUFRPPBASA-N
Canonical SMILES C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C3)C=CC(=O)O4)O)O)O)O)O)O
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Other Names 2H-1-Benzopyran-2-one, 7-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-

In Other Databases

PubChem 10072745
ChemSpider 8248285