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CHEBI:68229 - pinselin

ChEBI IDCHEBI:68229
ChEBI Namepinselin
Stars
DefinitionA member of the class of xanthones that is methyl 9H-xanthene-1-carboxylate substituted by hydroxy groups at positions 2 and 8, a methyl group at position 6 and an oxo group at position 9. It has been isolated from Aspergillus sydowii.
Last Modified7 June 2022
DownloadsMolfile
FormulaC16H12O6
Net Charge0
Average Mass300.266
Monoisotopic Mass300.06339
SMILESCOC(=O)c1c(O)ccc2oc3cc(C)cc(O)c3c(=O)c12
InChIInChI=1S/C16H12O6/c1-7-5-9(18)12-11(6-7)22-10-4-3-8(17)13(16(20)21-2)14(10)15(12)19/h3-6,17-18H,1-2H3
InChIKeyTWQNCGDOHUNFFU-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)
pinselin (CHEBI:68229) has role Aspergillus metabolite (CHEBI:76956)
pinselin (CHEBI:68229) is a aromatic ester (CHEBI:62732)
pinselin (CHEBI:68229) is a methyl ester (CHEBI:25248)
pinselin (CHEBI:68229) is a polyphenol (CHEBI:26195)
pinselin (CHEBI:68229) is a xanthones (CHEBI:51149)
IUPAC Name 
methyl 2,8-dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate
Registry NumbersSources
Reaxys:305759Reaxys
CAS:476-53-9ChemIDplus
Citations