CHEBI:68219 - aspergillusene B

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ChEBI Name aspergillusene B ChEBI ID CHEBI:68219 Definition A sesquiterpenoid that is 1-benzofuran substituted by a methyl group at position 3, a 3-methylbutyl group at position 2 and a carboxy group at position 6. An Aspergillus metabolite 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 C15H18O3 Net Charge 0 Average Mass 246.30160 Monoisotopic Mass 246.12559 InChI InChI=1S/C15H18O3/c1-9(2)4-7-13-10(3)12-6-5-11(15(16)17)8-14(12)18-13/h5-6,8-9H,4,7H2,1-3H3,(H,16,17) InChIKey PLDCIRZIXZQVGV-UHFFFAOYSA-N SMILES CC(C)CCc1oc2cc(ccc2c1C)C(O)=O 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 Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) 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 aspergillusene B (CHEBI:68219) has role Aspergillus metabolite (CHEBI:76956) aspergillusene B (CHEBI:68219) is a 1-benzofurans (CHEBI:38830) aspergillusene B (CHEBI:68219) is a monocarboxylic acid (CHEBI:25384) aspergillusene B (CHEBI:68219) is a sesquiterpenoid (CHEBI:26658) IUPAC Name 3-methyl-2-(3-methylbutyl)-1-benzofuran-6-carboxylic acid Registry Number Type Source 21708355 Reaxys Registry Number Reaxys Citation Type Source 21718031 PubMed citation Europe PMC Last Modified 13 January 2014