EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:181505 - 7-Hydroxy-3-(hydroxymethyl)-5-methylisochromen-1-one

ChEBI IDCHEBI:181505
ChEBI Name7-Hydroxy-3-(hydroxymethyl)-5-methylisochromen-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H10O4
Net Charge0
Average Mass206.197
Monoisotopic Mass206.05791
SMILESCc1cc(O)cc2c(=O)oc(CO)cc12
InChIInChI=1S/C11H10O4/c1-6-2-7(13)3-10-9(6)4-8(5-12)15-11(10)14/h2-4,12-13H,5H2,1H3
InChIKeyLTGJEIZAUFPWTC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
7-Hydroxy-3-(hydroxymethyl)-5-methylisochromen-1-one (CHEBI:181505) is a isocoumarins (CHEBI:38758)
IUPAC Name 
7-hydroxy-3-(hydroxymethyl)-5-methylisochromen-1-one
Manual XrefsDatabases
29814945ChemSpider