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CHEBI:211505 - Aspergisidone

Default Structure
ChEBI IDCHEBI:211505
ChEBI NameAspergisidone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H24O7
Net Charge0
Average Mass424.449
Monoisotopic Mass424.15220
SMILESC/C=C(\C)c1cc(O)c(C)c2c1C(=O)Oc1c(C)c(O)c(C(=O)O)c(/C(C)=C/C)c1O2
InChIInChI=1S/C24H24O7/c1-7-10(3)14-9-15(25)12(5)20-17(14)24(29)31-21-13(6)19(26)18(23(27)28)16(11(4)8-2)22(21)30-20/h7-9,25-26H,1-6H3,(H,27,28)/b10-7+,11-8+
InChIKeyAQEVIPMAHKXMTE-AMMQDNIMSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tet.2018.07.059)
ChEBI Ontology
Outgoing Relation(s)
Aspergisidone (CHEBI:211505) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
1,7-bis[(E)-but-2-en-2-yl]-3,9-dihydroxy-4,10-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid
Manual XrefsDatabases
78435264ChemSpider