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CHEBI:217705 - Acetoxydothiorelone B

ChEBI IDCHEBI:217705
ChEBI NameAcetoxydothiorelone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O7
Net Charge0
Average Mass380.437
Monoisotopic Mass380.18350
SMILESCCOC(=O)Cc1cc(O)cc(O)c1C(=O)CCCC[C@H](CC)OC(C)=O
InChIInChI=1S/C20H28O7/c1-4-16(27-13(3)21)8-6-7-9-17(23)20-14(11-19(25)26-5-2)10-15(22)12-18(20)24/h10,12,16,22,24H,4-9,11H2,1-3H3/t16-/m0/s1
InChIKeyFXMOPLANHSGUCS-INIZCTEOSA-N
Species of MetaboliteComponentSourceComments
Diaporthe (ncbitaxon:36922) - PubMed (29660469)
ChEBI Ontology
Outgoing Relation(s)
Acetoxydothiorelone B (CHEBI:217705) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
ethyl 2-[2-(6-acetyloxyoctanoyl)-3,5-dihydroxyphenyl]acetate