EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216844 - (+)-nigrosporione A

ChEBI IDCHEBI:216844
ChEBI Name(+)-nigrosporione A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H12O4
Net Charge0
Average Mass184.191
Monoisotopic Mass184.07356
SMILESCOC1=CC(=O)[C@]2(C)CO[C@H](O)[C@H]12
InChIInChI=1S/C9H12O4/c1-9-4-13-8(11)7(9)5(12-2)3-6(9)10/h3,7-8,11H,4H2,1-2H3/t7-,8-,9-/m0/s1
InChIKeyPBCAFSVBCMHJCT-CIUDSAMLSA-N
Species of MetaboliteComponentSourceComments
Nigrospora (ncbitaxon:114230) - PubMed (29746771)
ChEBI Ontology
Outgoing Relation(s)
(+)-nigrosporione A (CHEBI:216844) is a oxolanes (CHEBI:26912)
IUPAC Name 
(3S,3aS,6aS)-3-hydroxy-4-methoxy-6a-methyl-3,3a-dihydro-1H-cyclopenta[c]uran-6-one