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CHEBI:227314 - Isoemericellin

ChEBI IDCHEBI:227314
ChEBI NameIsoemericellin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O5
Net Charge0
Average Mass408.494
Monoisotopic Mass408.19367
SMILESCC(C)=CCOc1c(C)cc2oc3ccc(CC=C(C)C)c(O)c3c(=O)c2c1CO
InChIInChI=1S/C25H28O5/c1-14(2)6-7-17-8-9-19-22(23(17)27)24(28)21-18(13-26)25(29-11-10-15(3)4)16(5)12-20(21)30-19/h6,8-10,12,26-27H,7,11,13H2,1-5H3
InChIKeyMDBQNLFOBADTEY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus stellatus (ncbitaxon:1549217) - DOI (10.1016/s0031-9422(03)00189-4)
ChEBI Ontology
Outgoing Relation(s)
Isoemericellin (CHEBI:227314) is a xanthones (CHEBI:51149)
IUPAC Name 
8-hydroxy-1-(hydroxymethyl)-3-methyl-2-(3-methylbut-2-enoxy)-7-(3-methylbut-2-enyl)xanthen-9-one
Manual XrefsDatabases
552896ChemSpider