(2S)-7-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl β-D-glucopyranoside

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Systematic / IUPAC Name: (2S)-7-Hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-1,4-benzoxazin-3-one

ID: Reference8234

Other Names: 2H-1,4-Benzoxazin-3(4H)-one, 2-(β-D-glucopyranosyloxy)-7-hydroxy-, (2S)-

Formula: C14H17NO9

Spectral Data

(2S)-7-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-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 3
No. of Spectra 2128
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/4/2018 12:15:03 PM
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Identificators

InChI InChI=1S/C14H17NO9/c16-4-8-9(18)10(19)11(20)13(23-8)24-14-12(21)15-6-2-1-5(17)3-7(6)22-14/h1-3,8-11,13-14,16-20H,4H2,(H,15,21)/t8-,9-,10+,11-,13+,14+/m1/s1
InChI Key VUFDXOACUHDTLI-PUOUXSMHSA-N
Canonical SMILES C1=CC2=C(C=C1O)OC(C(=O)N2)OC3C(C(C(C(O3)CO)O)O)O
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Other Names 2H-1,4-Benzoxazin-3(4H)-one, 2-(β-D-glucopyranosyloxy)-7-hydroxy-, (2S)-

In Other Databases

ChemSpider 29814487
PubChem 51136558