EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:1374 - 3,4-dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid

ChEBI IDCHEBI:1374
ChEBI Name3,4-dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid
Stars
ASCII Name3,4-dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid
Last Modified28 July 2014
DownloadsMolfile
FormulaC11H9NO5
Net Charge0
Average Mass235.195
Monoisotopic Mass235.04807
SMILESC=C1Oc2cc(OC)cc(C(=O)O)c2NC1=O
InChIInChI=1S/C11H9NO5/c1-5-10(13)12-9-7(11(14)15)3-6(16-2)4-8(9)17-5/h3-4H,1H2,2H3,(H,12,13)(H,14,15)
InChIKeyINZXOXPPCUXFBP-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3,4-dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid (CHEBI:1374) is a benzoxazine (CHEBI:46969)
3,4-dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid (CHEBI:1374) is a monocarboxylic acid (CHEBI:25384)
Synonyms  Source
3,4-Dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acidKEGG COMPOUND
BenzoxazolinateKEGG COMPOUND
Manual XrefsDatabases
C11468KEGG COMPOUND
Registry NumbersSources
CAS:105897-30-1KEGG COMPOUND