2-Hydroxy-3-(5-hydroxy-7,8-dimethoxy-4-oxo-4H-chromen-2-yl)phenyl β-D-glucopyranoside

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

ID: Reference8032

Other Names: 4H-1-Benzopyran-4-one, 2-[3-(β-D-glucopyranosyloxy)-2-hydroxyphenyl]-5-hydroxy-7,8-dimethoxy-

Formula: C23H24O12

Spectral Data

2-Hydroxy-3-(5-hydroxy-7,8-dimethoxy-4-oxo-4H-chromen-2-yl)phenyl 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 315
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 6/6/2018 8:00:54 AM
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Identificators

InChI InChI=1S/C23H24O12/c1-31-14-7-11(26)16-10(25)6-13(33-22(16)21(14)32-2)9-4-3-5-12(17(9)27)34-23-20(30)19(29)18(28)15(8-24)35-23/h3-7,15,18-20,23-24,26-30H,8H2,1-2H3/t15-,18-,19+,20-,23-/m1/s1
InChI Key JCUIPEIMZRLNKQ-BSTKLLGTSA-N
Canonical SMILES COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=C(C(=CC=C3)OC4C(C(C(C(O4)CO)O)O)O)O)OC
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Other Names 4H-1-Benzopyran-4-one, 2-[3-(β-D-glucopyranosyloxy)-2-hydroxyphenyl]-5-hydroxy-7,8-dimethoxy-

In Other Databases

ChemSpider 64892235
PubChem 11968627