2-(β-D-Glucopyranosyloxy)-7-hydroxy-2H-1,4-benzoxazin-3(4H)-one

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H17NO9
Molecular Weight	343.2861
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(β-D-Glucopyranosyloxy)-7-hydroxy-2H-1,4-benzoxazin-3(4H)-one

Structure Search

SMILES

OC[C@@H]1O[C@H](O[C@H]2OC3=CC(O)=CC=C3NC2=O)[C@@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=VUFDXOACUHDTLI-XGEMBROFSA-N

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+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

2-(β-D-Glucopyranosyloxy)-7-hydroxy-2H-1,4-benzoxazin-3(4H)-one

Systematic Name

English

DHBOA-Glc

Common Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

133562203

Created by admin on Sat Dec 16 19:34:23 GMT 2023 , Edited by admin on Sat Dec 16 19:34:23 GMT 2023

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FDA UNII

4D3UTV959P

Created by admin on Sat Dec 16 19:34:23 GMT 2023 , Edited by admin on Sat Dec 16 19:34:23 GMT 2023

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EPA CompTox

DTXSID801173632

Created by admin on Sat Dec 16 19:34:23 GMT 2023 , Edited by admin on Sat Dec 16 19:34:23 GMT 2023

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CAS

28512-70-1

Created by admin on Sat Dec 16 19:34:23 GMT 2023 , Edited by admin on Sat Dec 16 19:34:23 GMT 2023

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SUBSTANCE RECORD


					4D3UTV959P

2-(β-D-Glucopyranosyloxy)-7-hydroxy-2H-1,4-benzoxazin-3(4H)-one