4-hydroxy-3-methoxy-11-methyldecahydro-1H-benzoxecine-1,12-dione (CHEBI:204820)

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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	4-hydroxy-3-methoxy-11-methyldecahydro-1H-benzoxecine-1,12-dione

ChEBI ID	CHEBI:204820

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H24O5

Net Charge

Average Mass

284.352

Monoisotopic Mass

284.16237

InChI

InChI=1S/C15H24O5/c1-9-5-3-4-6-10-11(7-14(17)20-9)15(18)13(19-2)8-12(10)16/h9-11,13,15,18H,3-8H2,1-2H3/t9-,10+,11+,13+,15+/m0/s1

InChIKey

HUDJNBASTKAXFK-FLTUUGLCSA-N

SMILES

O=C1O[C@H](CCCC[C@@H]2[C@@H](C1)[C@@H](O)[C@H](OC)CC2=O)C

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

ChEBI Ontology
Outgoing	4-hydroxy-3-methoxy-11-methyldecahydro-1H-benzoxecine-1,12-dione (CHEBI:204820) is a oxacycle (CHEBI:38104)

IUPAC Name

(4S,8aR,11R,12R,12aR)-12-hydroxy-11-methoxy-4-methyl-4,5,6,7,8,8a,10,11,12,12a-decahydro-1H-benzo[d]oxecine-2,9-dione