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CHEBI:168620 - Dehydrooreadone

ChEBI IDCHEBI:168620
ChEBI NameDehydrooreadone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O3
Net Charge0
Average Mass234.295
Monoisotopic Mass234.12559
SMILESCC1(C)C=CC(=O)C2C3C(=CCC21)COC3O
InChIInChI=1S/C14H18O3/c1-14(2)6-5-10(15)12-9(14)4-3-8-7-17-13(16)11(8)12/h3,5-6,9,11-13,16H,4,7H2,1-2H3
InChIKeyRBUVATMDYDGAJH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Marasmius oreades (ncbitaxon:181124) - DOI (10.1139/v89-210)
ChEBI Ontology
Outgoing Relation(s)
Dehydrooreadone (CHEBI:168620) is a naphthofuran (CHEBI:39270)
IUPAC Names 
1-hydroxy-6,6-dimethyl-1,3,5,5a,9a,9b-hexahydrobenzo[e][2]benzouran-9-one
(1S,5aR,9aS,9bR)-1-hydroxy-6,6-dimethyl-1,3,5,5a,9a,9b-hexahydrobenzo[e][2]benzouran-9-one
Manual XrefsDatabases
35014080ChemSpider
HMDB0036046HMDB
78443452ChemSpider