EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:217039 - Sequoiatone A

ChEBI IDCHEBI:217039
ChEBI NameSequoiatone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30O6
Net Charge0
Average Mass402.487
Monoisotopic Mass402.20424
SMILESCCCCCC[C@H](C)C(=O)C1=C2C(C(=O)OC)=C3C=C(C)OC[C@H]3[C@]2(C)OC1=O
InChIInChI=1S/C23H30O6/c1-6-7-8-9-10-13(2)20(24)18-19-17(21(25)27-5)15-11-14(3)28-12-16(15)23(19,4)29-22(18)26/h11,13,16H,6-10,12H2,1-5H3/t13-,16+,23-/m0/s1
InChIKeyUMDDQZKJZQPILY-LZDDTZTRSA-N
Species of MetaboliteComponentSourceComments
Aspergillus parasiticus (ncbitaxon:5067) - PubMed (11674610)
ChEBI Ontology
Outgoing Relation(s)
Sequoiatone A (CHEBI:217039) is a polyketide (CHEBI:26188)
IUPAC Name 
methyl (1S,2S)-2,10-dimethyl-5-[(2S)-2-methyloctanoyl]-4-oxo-3,11-dioxatricyclo[6.4.0.02,6]dodeca-5,7,9-triene-7-carboxylate
Manual XrefsDatabases
8154056ChemSpider