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CHEBI:68862 - variecoxanthone C

ChEBI IDCHEBI:68862
ChEBI Namevariecoxanthone C
Stars
DefinitionA member of the class of xanthones that is 9H-xanthen-9-one substituted by a (3,3-dimethyoxiran-2-yl)methyl group at position 5, a hydroxy group at position 8, a hydroxymethyl group at position 1, a methyl group at position 3 and a prenyloxy group at position 2. It has been isolated from Aspergillus.
Last Modified13 January 2014
DownloadsMolfile
FormulaC25H28O6
Net Charge0
Average Mass424.493
Monoisotopic Mass424.18859
SMILESCC(C)=CCOc1c(C)cc2oc3c(CC4OC4(C)C)ccc(O)c3c(=O)c2c1CO
InChIInChI=1S/C25H28O6/c1-13(2)8-9-29-23-14(3)10-18-20(16(23)12-26)22(28)21-17(27)7-6-15(24(21)30-18)11-19-25(4,5)31-19/h6-8,10,19,26-27H,9,11-12H2,1-5H3
InChIKeyROWGCYHEZVANDZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (22026385)
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
variecoxanthone C (CHEBI:68862) has role Aspergillus metabolite (CHEBI:76956)
variecoxanthone C (CHEBI:68862) is a aromatic primary alcohol (CHEBI:33857)
variecoxanthone C (CHEBI:68862) is a epoxide (CHEBI:32955)
variecoxanthone C (CHEBI:68862) is a phenols (CHEBI:33853)
variecoxanthone C (CHEBI:68862) is a xanthones (CHEBI:51149)
IUPAC Name 
5-[(3,3-dimethyloxiran-2-yl)methyl]-8-hydroxy-1-(hydroxymethyl)-3-methyl-2-[(3-methylbut-2-en-1-yl)oxy]-9H-xanthen-9-one
Citations