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CHEBI:216489 - 4-epi-microsphaeropsisin

ChEBI IDCHEBI:216489
ChEBI Name4-epi-microsphaeropsisin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O4
Net Charge0
Average Mass278.348
Monoisotopic Mass278.15181
SMILESCO[C@@]12C=C3C=CC(=O)[C@@H](C)[C@]3(C)C[C@]1(O)[C@@H](C)CO2
InChIInChI=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
InChIKeySFCGEIHSBRXLDW-DCIASYOESA-N
Species of MetaboliteComponentSourceComments
Didymosphaeria variabile (ncbitaxon:1932322) - PubMed (28737947)
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
78439321ChemSpider