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CHEBI:68226 - methyl 8-hydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate

ChEBI IDCHEBI:68226
ChEBI Namemethyl 8-hydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate
Stars
ASCII Namemethyl 8-hydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate
DefinitionA member of the class of xanthones that is 9H-xanthene substituted by a hydroxy group at position 8. a methyl group at position 6, an oxo group at position 9 and a methoxy carbonyl at position 1. It has been isolated from the fungus Aspergillus sydowii.
Last Modified6 October 2014
DownloadsMolfile
FormulaC16H12O5
Net Charge0
Average Mass284.267
Monoisotopic Mass284.06847
SMILESCOC(=O)c1cccc2oc3cc(C)cc(O)c3c(=O)c12
InChIInChI=1S/C16H12O5/c1-8-6-10(17)14-12(7-8)21-11-5-3-4-9(16(19)20-2)13(11)15(14)18/h3-7,17H,1-2H3
InChIKeyYEKIIDIQOZQXAX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus sydowii (ncbitaxon:75750) - PubMed (21718031) Ethyl acetate extract of culture broth, fungus isolated from a sea fan, Annella sp. Strain: PSU F154
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
methyl 8-hydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate (CHEBI:68226) has role Aspergillus metabolite (CHEBI:76956)
methyl 8-hydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate (CHEBI:68226) is a aromatic ester (CHEBI:62732)
methyl 8-hydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate (CHEBI:68226) is a phenols (CHEBI:33853)
methyl 8-hydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate (CHEBI:68226) is a xanthones (CHEBI:51149)
IUPAC Name 
methyl 8-hydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate
Registry NumbersSources
Reaxys:6870943Reaxys
Citations