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CHEBI:203220 - Dothiorelone I

ChEBI IDCHEBI:203220
ChEBI NameDothiorelone I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24O6
Net Charge0
Average Mass336.384
Monoisotopic Mass336.15729
SMILESCCOC(=O)Cc1cc(O)cc(O)c1C(=O)CCCCCC(C)=O
InChIInChI=1S/C18H24O6/c1-3-24-17(23)10-13-9-14(20)11-16(22)18(13)15(21)8-6-4-5-7-12(2)19/h9,11,20,22H,3-8,10H2,1-2H3
InChIKeyWCCRDMDAJDAFKJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - DOI (10.1007/s10600-014-0915-y)
ChEBI Ontology
Outgoing Relation(s)
Dothiorelone I (CHEBI:203220) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
ethyl 2-[3,5-dihydroxy-2-(7-oxooctanoyl)phenyl]acetate
Manual XrefsDatabases
78435618ChemSpider