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CHEBI:208882 - (15R)-acetoxydothiorelone A

ChEBI IDCHEBI:208882
ChEBI Name(15R)-acetoxydothiorelone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O7
Net Charge0
Average Mass380.437
Monoisotopic Mass380.18350
SMILESCCOC(=O)Cc1cc(O)cc(O)c1C(=O)CCCCC[C@@H](C)OC(C)=O
InChIInChI=1S/C20H28O7/c1-4-26-19(25)11-15-10-16(22)12-18(24)20(15)17(23)9-7-5-6-8-13(2)27-14(3)21/h10,12-13,22,24H,4-9,11H2,1-3H3/t13-/m1/s1
InChIKeyIBFOIJMFLLVZRV-CYBMUJFWSA-N
Species of MetaboliteComponentSourceComments
Diaporthe (ncbitaxon:36922) - PubMed (30050898)
ChEBI Ontology
Outgoing Relation(s)
(15R)-acetoxydothiorelone A (CHEBI:208882) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
ethyl 2-[2-[(7R)-7-acetyloxyoctanoyl]-3,5-dihydroxyphenyl]acetate
Manual XrefsDatabases
71048502ChemSpider