EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:202772 - Microsphaeropsisin

ChEBI IDCHEBI:202772
ChEBI NameMicrosphaeropsisin
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+/m1/s1
InChIKeySFCGEIHSBRXLDW-YWCGQCRUSA-N
Species of MetaboliteComponentSourceComments
Coniothyriumspecies (ncbitaxon:1756115) - PubMed (9917295)
ChEBI Ontology
Outgoing Relation(s)
Microsphaeropsisin (CHEBI:202772) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(3R,3aR,4aR,5S,9aS)-3a-hydroxy-9a-methoxy-3,4a,5-trimethyl-2,3,4,5-tetrahydrobenzo[][1]benzouran-6-one
Manual XrefsDatabases
8169286ChemSpider