4-Acetyl-3-hydroxy-5-methylphenyl β-D-glucopyranoside

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Systematic / IUPAC Name: 1-[2-Hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone

ID: Reference8187

Other Names: Ethanone, 1-[4-(β-D-glucopyranosyloxy)-2-hydroxy-6-methylphenyl]-

Formula: C15H20O8

Spectral Data

4-Acetyl-3-hydroxy-5-methylphenyl 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 1107
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/3/2018 8:04:21 AM
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Identificators

InChI InChI=1S/C15H20O8/c1-6-3-8(4-9(18)11(6)7(2)17)22-15-14(21)13(20)12(19)10(5-16)23-15/h3-4,10,12-16,18-21H,5H2,1-2H3/t10-,12-,13+,14-,15-/m1/s1
InChI Key CFJLERBDXYGARW-TVKJYDDYSA-N
Canonical SMILES CC1=CC(=CC(=C1C(=O)C)O)OC2C(C(C(C(O2)CO)O)O)O
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Other Names Ethanone, 1-[4-(β-D-glucopyranosyloxy)-2-hydroxy-6-methylphenyl]-

In Other Databases

ChemSpider 29814284
PubChem 45783012