EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:68288 - methyl 3,8-dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate

ChEBI IDCHEBI:68288
ChEBI Namemethyl 3,8-dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate
Stars
ASCII Namemethyl 3,8-dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate
DefinitionA member of the class of xanthones that is 9H-xanthene substituted by a methyl group at position 6, hydroxy groups at positions 3 and 8, an oxo group at position 9 and a methoxy carbonyl at position 1. It has been isolated from Microdiplodia species and Aspergillus sydowii.
Last Modified13 April 2015
DownloadsMolfile
FormulaC16H12O6
Net Charge0
Average Mass300.266
Monoisotopic Mass300.06339
SMILESCOC(=O)c1cc(O)cc2oc3cc(C)cc(O)c3c(=O)c12
InChIInChI=1S/C16H12O6/c1-7-3-10(18)14-11(4-7)22-12-6-8(17)5-9(16(20)21-2)13(12)15(14)19/h3-6,17-18H,1-2H3
InChIKeyMJOGVUMPZLEYIH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Microdiplodia (ncbitaxon:371130) - PubMed (21244021) EtOAc extract of an endophytic fungi isolated from Lycium intricatum Strain: 9907
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 3,8-dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate (CHEBI:68288) has role Aspergillus metabolite (CHEBI:76956)
methyl 3,8-dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate (CHEBI:68288) is a aromatic ester (CHEBI:62732)
methyl 3,8-dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate (CHEBI:68288) is a methyl ester (CHEBI:25248)
methyl 3,8-dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate (CHEBI:68288) is a polyphenol (CHEBI:26195)
methyl 3,8-dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate (CHEBI:68288) is a xanthones (CHEBI:51149)
IUPAC Name 
methyl 3,8-dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate
Registry NumbersSources
Reaxys:304750Reaxys
Citations