CHEBI:68229 - pinselin

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ChEBI Name pinselin ChEBI ID CHEBI:68229 Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C16H12O6 Net Charge 0 Average Mass 300.26290 Monoisotopic Mass 300.06339 InChI InChI=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 InChIKey TWQNCGDOHUNFFU-UHFFFAOYSA-N SMILES COC(=O)c1c(O)ccc2oc3cc(C)cc(O)c3c(=O)c12 Metabolite of Species Details Aspergillus sydowii (NCBI:txid75750) Ethyl acetate extract of culture broth, fungus isolated from a sea fan, Annella sp. of strain PSU F154 See: PubMed Roles Classification Biological Role(s): Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Numbers Types Sources 305759 Reaxys Registry Number Reaxys 476-53-9 CAS Registry Number ChemIDplus Citation Type Source 21718031 PubMed citation Europe PMC Last Modified 07 June 2022