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CHEBI:206432 - 7-(gamma,gamma)-dimethylallyloxymacrosporin

ChEBI IDCHEBI:206432
ChEBI Name7-(gamma,gamma)-dimethylallyloxymacrosporin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O5
Net Charge0
Average Mass352.386
Monoisotopic Mass352.13107
SMILESCOc1cc(O)c2c(c1)C(=O)c1cc(C)c(OCC=C(C)C)cc1C2=O
InChIInChI=1S/C21H20O5/c1-11(2)5-6-26-18-10-15-14(7-12(18)3)20(23)16-8-13(25-4)9-17(22)19(16)21(15)24/h5,7-10,22H,6H2,1-4H3
InChIKeyCIDXOQQWDKFWSE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phoma (ncbitaxon:37463) - DOI (10.1007/s10600-017-1961-z)
ChEBI Ontology
Outgoing Relation(s)
7-(gamma,gamma)-dimethylallyloxymacrosporin (CHEBI:206432) is a anthraquinone (CHEBI:22580)
IUPAC Name 
1-hydroxy-3-methoxy-6-methyl-7-(3-methylbut-2-enoxy)anthracene-9,10-dione
Manual XrefsDatabases
63002550ChemSpider