(2R)-7-Methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl β-D-glucopyranoside
8246
Reference
(2R)-7-Methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl β-D-glucopyranoside Structure
Systematic / IUPAC Name: (2R)-7-Methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-1,4-benzoxazin-3-one
ID: Reference8246
Other Names: 2H-1,4-Benzoxazin-3(4H)-one, 2-(β-D-glucopyranosyloxy)-7-methoxy-, (2R)-
Formula: C15H19NO9
Spectral Data
(2R)-7-Methoxy-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.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
| No. of Spectral Trees | 3 |
| No. of Spectra | 2104 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/16/2018 6:55:15 AM |
Identificators
| InChI | InChI=1S/C15H19NO9/c1-22-6-2-3-7-8(4-6)23-15(13(21)16-7)25-14-12(20)11(19)10(18)9(5-17)24-14/h2-4,9-12,14-15,17-20H,5H2,1H3,(H,16,21)/t9-,10-,11+,12-,14+,15-/m1/s1 |
| InChI Key | PMBZSEOAOIYRMW-XFWGRBSCSA-N |
| Canonical SMILES | COC1=CC2=C(C=C1)NC(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O |
| CAS | |
| Splash | |
| Other Names | 2H-1,4-Benzoxazin-3(4H)-one, 2-(β-D-glucopyranosyloxy)-7-methoxy-, (2R)- |
In Other Databases
| ChEMBL | CHEMBL487419 |
| PubChem | 11035692 |
| ChemSpider | 9210866 |