EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:227348 - 9-oxostrobilurin K

ChEBI IDCHEBI:227348
ChEBI Name9-oxostrobilurin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O7
Net Charge0
Average Mass458.551
Monoisotopic Mass458.23045
SMILESC=CC(C)(C)O[C@@H]1COc2ccc(C=CC(=O)C(C)C(=COC)C(=O)OC)cc2OC1(C)C
InChIInChI=1S/C26H34O7/c1-9-25(3,4)33-23-16-31-21-13-11-18(14-22(21)32-26(23,5)6)10-12-20(27)17(2)19(15-29-7)24(28)30-8/h9-15,17,23H,1,16H2,2-8H3/t17?,23-/m1/s1
InChIKeyPLRPNMIDKFLMKO-IRCUZVAFSA-N
Species of MetaboliteComponentSourceComments
Favolaschia calocera (ncbitaxon:181918) - PubMed (27745908)
ChEBI Ontology
Outgoing Relation(s)
9-oxostrobilurin K (CHEBI:227348) is a styrenes (CHEBI:26799)
IUPAC Name 
methyl 6-[(3R)-4,4-dimethyl-3-(2-methylbut-3-en-2-yloxy)-2,3-dihydro-1,5-benzodioxepin-7-yl]-2-(methoxymethylidene)-3-methyl-4-oxohex-5-enoate