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CHEBI:197806 - Strobilurin I

ChEBI IDCHEBI:197806
ChEBI NameStrobilurin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O6
Net Charge0
Average Mass374.433
Monoisotopic Mass374.17294
SMILESCO/C=C(C(=O)OC)\C(C)=C/C=C/c1ccc2c(c1)OC(C)(C)[C@@H](O)CO2
InChIInChI=1S/C21H26O6/c1-14(16(12-24-4)20(23)25-5)7-6-8-15-9-10-17-18(11-15)27-21(2,3)19(22)13-26-17/h6-12,19,22H,13H2,1-5H3/b8-6+,14-7-,16-12+/t19-/m0/s1
InChIKeySMLIFVAKZCGFSF-MJAOIUGUSA-N
Species of MetaboliteComponentSourceComments
Agaricusspecies (ncbitaxon:1715219) - DOI (10.1016/s0040-4020(99)00563-3)
ChEBI Ontology
Outgoing Relation(s)
Strobilurin I (CHEBI:197806) is a styrenes (CHEBI:26799)
IUPAC Name 
methyl (2E,3Z,5E)-6-[(3S)-3-hydroxy-4,4-dimethyl-2,3-dihydro-1,5-benzodioxepin-7-yl]-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate
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8794767ChemSpider