EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:52125 - (6,8-difluoro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetic acid

ChEBI IDCHEBI:52125
ChEBI Name(6,8-difluoro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetic acid
Stars
ASCII Name(6,8-difluoro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetic acid
Last Modified17 October 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC12H8F2O5
Net Charge0
Average Mass270.187
Monoisotopic Mass270.03398
SMILESCc1c(CC(=O)O)c(=O)oc2c(F)c(O)c(F)cc12
InChIInChI=1S/C12H8F2O5/c1-4-5-2-7(13)10(17)9(14)11(5)19-12(18)6(4)3-8(15)16/h2,17H,3H2,1H3,(H,15,16)
InChIKeyLOOHJLFUKMXKKO-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)
(6,8-difluoro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetic acid (CHEBI:52125) has functional parent 6,8-difluoro-7-hydroxy-4-methylcoumarin (CHEBI:51660)
(6,8-difluoro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetic acid (CHEBI:52125) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
(6,8-difluoro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetic acid
Registry NumbersSources
Beilstein:8070561Beilstein