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CHEBI:217736 - Dothiorelone N

ChEBI IDCHEBI:217736
ChEBI NameDothiorelone N
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32O8
Net Charge0
Average Mass472.534
Monoisotopic Mass472.20972
SMILESCC(=O)OCCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCCc1ccc(O)cc1
InChIInChI=1S/C26H32O8/c1-18(27)33-13-6-4-2-3-5-7-23(30)26-20(15-22(29)17-24(26)31)16-25(32)34-14-12-19-8-10-21(28)11-9-19/h8-11,15,17,28-29,31H,2-7,12-14,16H2,1H3
InChIKeyDLCHRERBBZWJJJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Diaporthe (ncbitaxon:36922) - PubMed (29660469)
ChEBI Ontology
Outgoing Relation(s)
Dothiorelone N (CHEBI:217736) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
2-(4-hydroxyphenyl)ethyl 2-[2-(8-acetyloxyoctanoyl)-3,5-dihydroxyphenyl]acetate