EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:211078 - Pinophilone A

ChEBI IDCHEBI:211078
ChEBI NamePinophilone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H18O8
Net Charge0
Average Mass374.345
Monoisotopic Mass374.10017
SMILESCOC(=O)c1cc(OC)cc(OC)c1C(=O)c1coc2c(c1=O)O[C@@H](C)C2
InChIInChI=1S/C19H18O8/c1-9-5-14-18(27-9)17(21)12(8-26-14)16(20)15-11(19(22)25-4)6-10(23-2)7-13(15)24-3/h6-9H,5H2,1-4H3/t9-/m0/s1
InChIKeyIUHGCYSFZSKKDN-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31128244)
ChEBI Ontology
Outgoing Relation(s)
Pinophilone A (CHEBI:211078) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
methyl 3,5-dimethoxy-2-[(2S)-2-methyl-7-oxo-2,3-dihydrouro[3,2-b]pyran-6-carbonyl]benzoate
Manual XrefsDatabases
76712504ChemSpider