EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:227555 - Aspergone B

ChEBI IDCHEBI:227555
ChEBI NameAspergone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14O3
Net Charge0
Average Mass194.230
Monoisotopic Mass194.09429
SMILESC/C=C/C=C1/C=C(C[C@H](C)O)C(=O)O1
InChIInChI=1S/C11H14O3/c1-3-4-5-10-7-9(6-8(2)12)11(13)14-10/h3-5,7-8,12H,6H2,1-2H3/b4-3+,10-5-/t8-/m0/s1
InChIKeyYXGLHZDPYZEASC-DFTJNCBESA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies OUCMDZ-1583 (ncbitaxon:1548012) - DOI (10.1039/c5ra11185d)
ChEBI Ontology
Outgoing Relation(s)
Aspergone B (CHEBI:227555) is a butenolide (CHEBI:50523)
IUPAC Name 
(5Z)-5-[(E)-but-2-enylidene]-3-[(2S)-2-hydroxypropyl]uran-2-one
Manual XrefsDatabases
40256840ChemSpider