2-(2,4-DIHYDROXY-1,4(2H)-BENZOXAZIN-3(4H)-ON-BETA-D-GLUCOSIDE

Structure

2D structure of 2-(2,4-DIHYDROXY-1,4(2H)-BENZOXAZIN-3(4H)-ON-BETA-D-GLUCOSIDE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js.

Names and identifiers

Name

2-(2,4-DIHYDROXY-1,4(2H)-BENZOXAZIN-3(4H)-ON-BETA-D-GLUCOSIDE

IUPAC name

4-hydroxy-2-(((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2H-benzo[b][1,4]oxazin-3(4H)-one

SMILES

C1=CC=CC2=C1OC(C(N2O)=O)O[C@@H]3[C@H]([C@@H]([C@H]([C@H](CO)O3)O)O)O

General information

Molecular formula

C14H17NO9

Molecular weight

343.29 g/mol

Monoisotopic mass

343.0903 Da

Classification

Pathway:
-
Superclass:
-
Class:
-
Glycoside:
Yes

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Triticum aestivum L. subsp. aestivum - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.