7-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-5-yl β-D-glucopyranoside

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

ID: Reference8256

Other Names: 2-(4-Hydroxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-2,3-dihydro-4H-1-benzopyran-4-one;
4H-1-Benzopyran-4-one, 5-(β-D-glucopyranosyloxy)-2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-;
Salipurposid

Formula: C21H22O10

Spectral Data

7-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-5-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 2
No. of Spectra 4979
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/18/2018 8:27:10 AM
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Identificators

InChI InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-6,13,16,18-24,26-28H,7-8H2/t13?,16-,18-,19+,20-,21-/m1/s1
InChI Key MFQIWHVVFBCURA-LKBAIHPRSA-N
Canonical SMILES C1C(OC2=CC(=CC(=C2C1=O)OC3C(C(C(C(O3)CO)O)O)O)O)C4=CC=C(C=C4)O
CAS
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Other Names 2-(4-Hydroxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-2,3-dihydro-4H-1-benzopyran-4-one;
4H-1-Benzopyran-4-one, 5-(β-D-glucopyranosyloxy)-2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-;
Salipurposid

In Other Databases

ChemSpider 23551150
PubChem 5321085