CHEBI:68221 - aspergillusone A

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ChEBI Name aspergillusone A ChEBI ID CHEBI:68221 Definition A member of the class of xanthones that is methyl (1S)-2,9-dihydro-1H-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 the sea fan derived fungus 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 C16H14O6 Net Charge 0 Average Mass 302.27880 Monoisotopic Mass 302.07904 InChI InChI=1S/C16H14O6/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/h3-6,8,13,17-18H,1-2H3/t8-,13+/m1/s1 InChIKey LPMOHIIEWMTZSE-OQPBUACISA-N SMILES COC(=O)[C@H]1[C@H](O)C=Cc2oc3cc(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 aspergillusone A (CHEBI:68221) has role Aspergillus metabolite (CHEBI:76956) aspergillusone A (CHEBI:68221) is a methyl ester (CHEBI:25248) aspergillusone A (CHEBI:68221) is a phenols (CHEBI:33853) aspergillusone A (CHEBI:68221) is a secondary alcohol (CHEBI:35681) aspergillusone A (CHEBI:68221) is a xanthones (CHEBI:51149) IUPAC Name rel-methyl (1R,2R)-2,8-dihydroxy-6-methyl-9-oxo-2,9-dihydro-1H-xanthene-1-carboxylate Registry Number Type Source 21708357 Reaxys Registry Number Reaxys Citation Type Source 21718031 PubMed citation Europe PMC Last Modified 06 March 2015