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CHEBI:145233 - 2-benzoxazolinone

ChEBI IDCHEBI:145233
ChEBI Name2-benzoxazolinone
Stars
DefinitionA member of the class of benzoxazoles that is 2,3-dihydro-1,3-benzoxazole carrying an oxo group at position 2.
Last Modified24 May 2023
Submittermwilliams
DownloadsMolfile
FormulaC7H5NO2
Net Charge0
Average Mass135.122
Monoisotopic Mass135.03203
SMILESO=c1nc2ccccc2o1
InChIInChI=1S/C7H5NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
InChIKeyASSKVPFEZFQQNQ-UHFFFAOYSA-N
Roles Classification
Biological Roles:
phytoalexin  A toxin made by a plant that acts against an organism attacking it.
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.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
6-methoxy-2-benzoxazolinone (CHEBI:195240) has functional parent 2-benzoxazolinone (CHEBI:145233)
IUPAC Name 
1,3-benzoxazol-2(3H)-one
Synonyms  Source
benzoxazoloneChemIDplus
benzoxazolinoneChemIDplus
2(3H)-benzoxazoloneChemIDplus
(3H)-1,3-benzoxazol-2-oneChEBI
benzoxazolin-2(3H)-oneChEBI
benzoxazolin-2-oneChEBI
UniProt Name  Source
2-benzoxazolinoneUniProt
Manual XrefsDatabases
HMDB0032931HMDB
FDB010916FooDB
CPD-19393MetaCyc
Registry NumbersSources
Reaxys:119481Reaxys
CAS:59-49-4ChemIDplus
CAS:59-49-4NIST Chemistry WebBook
Citations