EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:174213 - (S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid

ChEBI IDCHEBI:174213
ChEBI Name(S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12O5
Net Charge0
Average Mass236.223
Monoisotopic Mass236.06847
SMILESCC1CC(=O)c2c(CC(=O)O)cc(O)cc2O1
InChIInChI=1S/C12H12O5/c1-6-2-9(14)12-7(4-11(15)16)3-8(13)5-10(12)17-6/h3,5-6,13H,2,4H2,1H3,(H,15,16)
InChIKeyMONKQYHCNQSQHL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid (CHEBI:174213) is a chromones (CHEBI:23238)
IUPAC Name 
2-(7-hydroxy-2-methyl-4-oxo-2,3-dihydrochromen-5-yl)acetic acid
Manual XrefsDatabases
514417ChemSpider
HMDB0040407HMDB