EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:203463 - Solanapyrone K

ChEBI IDCHEBI:203463
ChEBI NameSolanapyrone K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H29NO4
Net Charge0
Average Mass359.466
Monoisotopic Mass359.20966
SMILESC[C@H]1CCC[C@@H]2C=C[C@H](C)[C@@](C)(c3cc(O)c(C=NCCO)c(=O)o3)[C@H]12
InChIInChI=1S/C21H29NO4/c1-13-5-4-6-15-8-7-14(2)21(3,19(13)15)18-11-17(24)16(20(25)26-18)12-22-9-10-23/h7-8,11-15,19,23-24H,4-6,9-10H2,1-3H3/t13-,14-,15+,19+,21-/m0/s1
InChIKeyLBJPAVGFGJSREW-NQMZZLEVSA-N
ChEBI Ontology
Outgoing Relation(s)
Solanapyrone K (CHEBI:203463) is a pyranone (CHEBI:37963)
IUPAC Name 
6-[(1R,2S,4aR,8S,8aR)-1,2,8-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-4-hydroxy-3-(2-hydroxyethyliminomethyl)pyran-2-one
Manual XrefsDatabases
78440162ChemSpider