4-epi-microsphaeropsisin (CHEBI:216489)

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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-epi-microsphaeropsisin

ChEBI ID	CHEBI:216489

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H22O4

Net Charge

Average Mass

278.348

Monoisotopic Mass

278.15181

InChI

InChI=1S/C16H22O4/c1-10-8-20-16(19-4)7-12-5-6-13(17)11(2)14(12,3)9-15(10,16)18/h5-7,10-11,18H,8-9H2,1-4H3/t10-,11+,14-,15-,16+/m0/s1

InChIKey

SFCGEIHSBRXLDW-DCIASYOESA-N

SMILES

O=C1C=CC2=C[C@]3(OC[C@@H]([C@]3(C[C@]2([C@@H]1C)C)O)C)OC

Metabolite of Species	Details
Didymosphaeria var.abile (NCBI:txid1932322)	See: PubMed

ChEBI Ontology
Outgoing	4-epi-microsphaeropsisin (CHEBI:216489) is a naphthofuran (CHEBI:39270)

IUPAC Name

(3S,3aS,4aS,5S,9aR)-3a-hydroxy-9a-methoxy-3,4a,5-trimethyl-2,3,4,5-tetrahydrobenzo[][1]benzouran-6-one