9-oxostrobilurin E (CHEBI:226025)

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CHEBI:226025 - 9-oxostrobilurin E

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ChEBI ID	CHEBI:226025
ChEBI Name	9-oxostrobilurin E
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H32O8
Net Charge	0
Average Mass	472.534
Monoisotopic Mass	472.20972
SMILES	CO/C=C(/C(=O)OC)C(C)C(=O)/C=C/c1ccc2c(c1)O[C@@]1(CO2)O[C@H](C=C(C)C)OC1(C)C
InChI	InChI=1S/C26H32O8/c1-16(2)12-23-33-25(4,5)26(34-23)15-31-21-11-9-18(13-22(21)32-26)8-10-20(27)17(3)19(14-29-6)24(28)30-7/h8-14,17,23H,15H2,1-7H3/b10-8+,19-14+/t17?,23-,26+/m1/s1
InChIKey	FRJOTJKRESXUOT-CKJNEUMMSA-N

Species of Metabolite	Component	Source	Comments
Favolaschia (ncbitaxon:139071)	-	PubMed (32193929)

ChEBI Ontology

Outgoing Relation(s)
	9-oxostrobilurin E (CHEBI:226025) is a styrenes (CHEBI:26799)

IUPAC Name
methyl (E,2E)-6-[(2R,4S)-5,5-dimethyl-2-(2-methylprop-1-enyl)spiro[1,3-dioxolane-4,3'-2H-1,4-benzodioxine]-6'-yl]-2-(methoxymethylidene)-3-methyl-4-oxohex-5-enoate