CHEBI:217705 - Acetoxydothiorelone B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Acetoxydothiorelone B
ChEBI ID CHEBI:217705
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H28O7
Net Charge 0
Average Mass 380.437
Monoisotopic Mass 380.18350
InChI InChI=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
InChIKey FXMOPLANHSGUCS-INIZCTEOSA-N
SMILES O=C(OCC)CC1=C(C(O)=CC(=C1)O)C(=O)CCCC[C@@H](OC(=O)C)CC
Metabolite of Species Details
Diaporthe (NCBI:txid36922) See: PubMed
ChEBI Ontology
Outgoing Acetoxydothiorelone B (CHEBI:217705) is a aromatic ketone (CHEBI:76224)
IUPAC Name
ethyl 2-[2-(6-acetyloxyoctanoyl)-3,5-dihydroxyphenyl]acetate