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CHEBI:224858 - Penithoketone

ChEBI IDCHEBI:224858
ChEBI NamePenithoketone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O7
Net Charge0
Average Mass346.335
Monoisotopic Mass346.10525
SMILESCOC1=C(O)C(=O)c2c(O)cccc2[C@@]1(OC)[C@@H](C)C1=CC(=O)OC1
InChIInChI=1S/C18H18O7/c1-9(10-7-13(20)25-8-10)18(24-3)11-5-4-6-12(19)14(11)15(21)16(22)17(18)23-2/h4-7,9,19,22H,8H2,1-3H3/t9-,18-/m0/s1
InChIKeyUKMSCZOXANKYAA-YYSFKGJASA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (32902982)
ChEBI Ontology
Outgoing Relation(s)
Penithoketone (CHEBI:224858) is a terpene lactone (CHEBI:37668)
IUPAC Name 
3-[(1S)-1-[(1S)-3,5-dihydroxy-1,2-dimethoxy-4-oxonaphthalen-1-yl]ethyl]-2H-uran-5-one
Manual XrefsDatabases
92172184ChemSpider