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CHEBI:209290 - Dothiorelone J

ChEBI IDCHEBI:209290
ChEBI NameDothiorelone J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O6
Net Charge0
Average Mass310.346
Monoisotopic Mass310.14164
SMILESCCOC(=O)Cc1cc(O)cc(O)c1C(=O)CCCCCO
InChIInChI=1S/C16H22O6/c1-2-22-15(21)9-11-8-12(18)10-14(20)16(11)13(19)6-4-3-5-7-17/h8,10,17-18,20H,2-7,9H2,1H3
InChIKeyIAXJSUZCRGYJFV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - DOI (10.1016/j.tet.2015.10.015)
ChEBI Ontology
Outgoing Relation(s)
Dothiorelone J (CHEBI:209290) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
ethyl 2-[3,5-dihydroxy-2-(6-hydroxyhexanoyl)phenyl]acetate
Manual XrefsDatabases
78435094ChemSpider