Microsphaeropsin A (CHEBI:209164)

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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	Microsphaeropsin A

ChEBI ID	CHEBI:209164

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H22O4

Net Charge

Average Mass

266.337

Monoisotopic Mass

266.15181

InChI

InChI=1S/C15H22O4/c1-8-4-5-11(16)10-6-12-15(18,9(2)7-19-12)13(17)14(8,10)3/h6,8,11-13,16-18H,2,4-5,7H2,1,3H3/t8-,11+,12+,13+,14+,15-/m1/s1

InChIKey

WSTNGTJRUMVECZ-UJLMXNMRSA-N

SMILES

O1[C@H]2C=C3[C@@]([C@@H](CC[C@@H]3O)C)(C)[C@@H]([C@@]2(O)C(C1)=C)O

Metabolite of Species	Details
Microsphaeropsis (NCBI:txid107453)	See: DOI

ChEBI Ontology
Outgoing	Microsphaeropsin A (CHEBI:209164) is a naphthofuran (CHEBI:39270)

IUPAC Name

(3aS,4S,4aS,5R,8S,9aS)-4a,5-dimethyl-3-methylidene-4,5,6,7,8,9a-hexahydrobenzo[][1]benzouran-3a,4,8-triol