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CHEBI:221752 - 9-oxostrobilurin I

ChEBI IDCHEBI:221752
ChEBI Name9-oxostrobilurin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O7
Net Charge0
Average Mass390.432
Monoisotopic Mass390.16785
SMILESCOC=C(C(=O)OC)C(C)C(=O)C=Cc1ccc2c(c1)OC(C)(C)[C@H](O)CO2
InChIInChI=1S/C21H26O7/c1-13(15(11-25-4)20(24)26-5)16(22)8-6-14-7-9-17-18(10-14)28-21(2,3)19(23)12-27-17/h6-11,13,19,23H,12H2,1-5H3/t13?,19-/m1/s1
InChIKeyYHPJNLPDNVMZNR-GAGCMDECSA-N
Species of MetaboliteComponentSourceComments
Favolaschia calocera (ncbitaxon:181918) - PubMed (27745908)
ChEBI Ontology
Outgoing Relation(s)
9-oxostrobilurin I (CHEBI:221752) is a styrenes (CHEBI:26799)
IUPAC Name 
methyl 6-[(3R)-3-hydroxy-4,4-dimethyl-2,3-dihydro-1,5-benzodioxepin-7-yl]-2-(methoxymethylidene)-3-methyl-4-oxohex-5-enoate