Dothiorelone J (CHEBI:209290)

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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	Dothiorelone J

ChEBI ID	CHEBI:209290

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H22O6

Net Charge

Average Mass

310.346

Monoisotopic Mass

310.14164

InChI

InChI=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

InChIKey

IAXJSUZCRGYJFV-UHFFFAOYSA-N

SMILES

O=C(OCC)CC1=C(C(O)=CC(=C1)O)C(=O)CCCCCO

Metabolite of Species	Details
Phomopsis (NCBI:txid34399)	See: DOI

ChEBI Ontology
Outgoing	Dothiorelone J (CHEBI:209290) is a aromatic ketone (CHEBI:76224)

IUPAC Name

ethyl 2-[3,5-dihydroxy-2-(6-hydroxyhexanoyl)phenyl]acetate