EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:199068 - Solanopyrone A

ChEBI IDCHEBI:199068
ChEBI NameSolanopyrone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O4
Net Charge0
Average Mass302.370
Monoisotopic Mass302.15181
SMILESCOc1cc([C@@H]2[C@H]3CCCC[C@H]3C=C[C@H]2C)oc(=O)c1C=O
InChIInChI=1S/C18H22O4/c1-11-7-8-12-5-3-4-6-13(12)17(11)16-9-15(21-2)14(10-19)18(20)22-16/h7-13,17H,3-6H2,1-2H3/t11-,12+,13+,17+/m1/s1
InChIKeyAWQLNKJBXASXDU-XREXNNHRSA-N
Species of MetaboliteComponentSourceComments
Alternaria solani (ncbitaxon:48100) - DOI (10.1016/s0040-4039(00)87872-7)
ChEBI Ontology
Outgoing Relation(s)
Solanopyrone A (CHEBI:199068) is a pyranone (CHEBI:37963)
IUPAC Name 
6-[(1S,2R,4aS,8aS)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-methoxy-2-oxopyran-3-carbaldehyde
Manual XrefsDatabases
78439594ChemSpider