EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:208214 - Penicisochroman J

ChEBI IDCHEBI:208214
ChEBI NamePenicisochroman J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H10O3
Net Charge0
Average Mass178.187
Monoisotopic Mass178.06299
SMILESC[C@@H]1OCc2c(O)cccc2C1=O
InChIInChI=1S/C10H10O3/c1-6-10(12)7-3-2-4-9(11)8(7)5-13-6/h2-4,6,11H,5H2,1H3/t6-/m0/s1
InChIKeyBXFMHHHDTOWXJZ-LURJTMIESA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.phytol.2014.06.018)
ChEBI Ontology
Outgoing Relation(s)
Penicisochroman J (CHEBI:208214) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
8-hydroxy-3-methyl-1H-isochromen-4-one
Manual XrefsDatabases
78434837ChemSpider