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CHEBI:199842 - Strobilurin K

ChEBI IDCHEBI:199842
ChEBI NameStrobilurin K
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O6
Net Charge0
Average Mass442.552
Monoisotopic Mass442.23554
SMILESC=CC(C)(C)O[C@H]1COc2ccc(/C=C/C=C(C)\C(=C/OC)C(=O)OC)cc2OC1(C)C
InChIInChI=1S/C26H34O6/c1-9-25(3,4)32-23-17-30-21-14-13-19(15-22(21)31-26(23,5)6)12-10-11-18(2)20(16-28-7)24(27)29-8/h9-16,23H,1,17H2,2-8H3/b12-10+,18-11-,20-16+/t23-/m0/s1
InChIKeyJGFBUHLBEGJYBL-BIVICCASSA-N
Species of MetaboliteComponentSourceComments
Agaricusspecies (ncbitaxon:1715219) - DOI (10.1016/s0040-4020(99)00563-3)
ChEBI Ontology
Outgoing Relation(s)
Strobilurin K (CHEBI:199842) is a styrenes (CHEBI:26799)
IUPAC Name 
methyl (2E,3Z,5E)-6-[(3S)-4,4-dimethyl-3-(2-methylbut-3-en-2-yloxy)-2,3-dihydro-1,5-benzodioxepin-7-yl]-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate
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8774703ChemSpider