EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225590 - Penicitol C

ChEBI IDCHEBI:225590
ChEBI NamePenicitol C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14O4
Net Charge0
Average Mass246.262
Monoisotopic Mass246.08921
SMILESCO[C@H]1CCc2oc(=O)c3c(O)cc(C)cc3c21
InChIInChI=1S/C14H14O4/c1-7-5-8-12(9(15)6-7)14(16)18-11-4-3-10(17-2)13(8)11/h5-6,10,15H,3-4H2,1-2H3/t10-/m0/s1
InChIKeyBRXZPQCUSKJYDB-JTQLQIEISA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (25611519)
ChEBI Ontology
Outgoing Relation(s)
Penicitol C (CHEBI:225590) is a isocoumarins (CHEBI:38758)
IUPAC Name 
(1S)-6-hydroxy-1-methoxy-8-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one
Manual XrefsDatabases
30770854ChemSpider