EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216859 - Nigrosporione C

ChEBI IDCHEBI:216859
ChEBI NameNigrosporione C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H14O4
Net Charge0
Average Mass186.207
Monoisotopic Mass186.08921
SMILESCOC1=CC(=O)[C@@](C)(CO)[C@H]1CO
InChIInChI=1S/C9H14O4/c1-9(5-11)6(4-10)7(13-2)3-8(9)12/h3,6,10-11H,4-5H2,1-2H3/t6-,9-/m0/s1
InChIKeyMSZSQOJGELKKNS-RCOVLWMOSA-N
Species of MetaboliteComponentSourceComments
Nigrospora (ncbitaxon:114230) - PubMed (29746771)
ChEBI Ontology
Outgoing Relation(s)
Nigrosporione C (CHEBI:216859) is a enol ether (CHEBI:47985)
Nigrosporione C (CHEBI:216859) is a enone (CHEBI:51689)
IUPAC Name 
(4S,5R)-4,5-bis(hydroxymethyl)-3-methoxy-5-methylcyclopent-2-en-1-one