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CHEBI:208877 - Dothiorelone O

ChEBI IDCHEBI:208877
ChEBI NameDothiorelone O
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O7
Net Charge0
Average Mass366.410
Monoisotopic Mass366.16785
SMILESCOC(=O)Cc1cc(O)cc(O)c1C(=O)CCCCCCCOC(C)=O
InChIInChI=1S/C19H26O7/c1-13(20)26-9-7-5-3-4-6-8-16(22)19-14(11-18(24)25-2)10-15(21)12-17(19)23/h10,12,21,23H,3-9,11H2,1-2H3
InChIKeyKMUUCYXSRUHGAT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Diaporthe (ncbitaxon:36922) - PubMed (30050898)
ChEBI Ontology
Outgoing Relation(s)
Dothiorelone O (CHEBI:208877) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
methyl 2-[2-(8-acetyloxyoctanoyl)-3,5-dihydroxyphenyl]acetate
Manual XrefsDatabases
71048501ChemSpider