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CHEBI:211100 - Pinophilone E

ChEBI IDCHEBI:211100
ChEBI NamePinophilone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H16O7
Net Charge0
Average Mass344.319
Monoisotopic Mass344.08960
SMILESCC=Cc1cc(=O)c([C@@H]2OC(=O)c3c(OC)c(O)cc(OC)c32)co1
InChIInChI=1S/C18H16O7/c1-4-5-9-6-11(19)10(8-24-9)16-14-13(22-2)7-12(20)17(23-3)15(14)18(21)25-16/h4-8,16,20H,1-3H3/t16-/m0/s1
InChIKeySQFNGGIIJVPGTC-INIZCTEOSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31128244)
ChEBI Ontology
Outgoing Relation(s)
Pinophilone E (CHEBI:211100) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3R)-6-hydroxy-4,7-dimethoxy-3-(4-oxo-6-prop-1-enylpyran-3-yl)-3H-2-benzouran-1-one