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CHEBI:197752 - Fudecalone

ChEBI IDCHEBI:197752
ChEBI NameFudecalone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESCC1=CC(=O)[C@@H]2C(C)(C)CCC[C@@]23[C@H](O)OC[C@@H]13
InChIInChI=1S/C15H22O3/c1-9-7-11(16)12-14(2,3)5-4-6-15(12)10(9)8-18-13(15)17/h7,10,12-13,17H,4-6,8H2,1-3H3/t10-,12+,13+,15-/m0/s1
InChIKeyHHSBIKHOYFPWGC-ZGFBFQLVSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (7868390)
ChEBI Ontology
Outgoing Relation(s)
Fudecalone (CHEBI:197752) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(1R,3aS,6aR,10aS)-1-hydroxy-4,7,7-trimethyl-3,3a,6a,8,9,10-hexahydro-1H-benzo[d][2]benzouran-6-one
Manual XrefsDatabases
8507818ChemSpider