2-benzoxazolinone (CHEBI:145233)

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ChEBI Name	2-benzoxazolinone

ChEBI ID	CHEBI:145233

Definition	A member of the class of benzoxazoles that is 2,3-dihydro-1,3-benzoxazole carrying an oxo group at position 2.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Mark Williams

Supplier Information

Download	Molfile XML SDF

Formula

C7H5NO2

Net Charge

Average Mass

135.122

Monoisotopic Mass

135.03203

InChI

InChI=1S/C7H5NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)

InChIKey

ASSKVPFEZFQQNQ-UHFFFAOYSA-N

SMILES

O1C=2C(NC1=O)=CC=CC2

Roles Classification
Biological Role(s):	allelochemical A class of secondary metabolites developed by many plants to influence the behaviour, growth or survival of herbivores, and thus acting as a defence against herbivory. phytoalexin A toxin made by a plant that acts against an organism attacking it.

ChEBI Ontology
Outgoing	2-benzoxazolinone (CHEBI:145233) has role allelochemical (CHEBI:62215) 2-benzoxazolinone (CHEBI:145233) has role phytoalexin (CHEBI:26115) 2-benzoxazolinone (CHEBI:145233) is a benzoxazole (CHEBI:46700)

Incoming	6-methoxy-2-benzoxazolinone (CHEBI:195240) has functional parent 2-benzoxazolinone (CHEBI:145233)

IUPAC Name

1,3-benzoxazol-2(3H)-one

Last Modified

24 May 2023