CHEBI:133758 - fonsecinone B

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ChEBI Name fonsecinone B ChEBI ID CHEBI:133758 Definition A dimeric naphthopyran with formula C32H28O11, originally isolated from Aspergillus niger. Stars This entity has been manually annotated by the ChEBI Team. Submitter Julian Brandl 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 C32H28O11 Net Charge 0 Average Mass 588.559 Monoisotopic Mass 588.16316 InChI InChI=1S/C32H28O11/c1-13-7-17(33)25-21(42-13)9-14-8-19(39-4)27(30(41-6)22(14)28(25)35)24-16-10-15(38-3)11-20(40-5)23(16)29(36)26-18(34)12-32(2,37)43-31(24)26/h7-11,35-37H,12H2,1-6H3 InChIKey AMDZXTMMLFPGSD-UHFFFAOYSA-N SMILES C=1(C2=C(C=C(C1)OC)C(=C3C(=C2O)C(CC(O3)(C)O)=O)C=4C(=C5C(=CC4OC)C=C6C(=C5O)C(C=C(O6)C)=O)OC)OC Metabolite of Species Details Aspergillus niger ATCC 1015 (NCBI:txid380704) of strain ATCC 11414 See: PubMed Aspergillus fonsecaeus of strain NRRL67 See: DOI 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 fonsecinone B (CHEBI:133758) has role Aspergillus metabolite (CHEBI:76956) fonsecinone B (CHEBI:133758) is a aromatic ether (CHEBI:35618) fonsecinone B (CHEBI:133758) is a aromatic ketone (CHEBI:76224) fonsecinone B (CHEBI:133758) is a biaryl (CHEBI:64459) fonsecinone B (CHEBI:133758) is a cyclic hemiketal (CHEBI:59780) fonsecinone B (CHEBI:133758) is a cyclic ketone (CHEBI:3992) fonsecinone B (CHEBI:133758) is a naphtho-γ-pyrone (CHEBI:64542) fonsecinone B (CHEBI:133758) is a polyphenol (CHEBI:26195) IUPAC Name 2',5,5'-trihydroxy-6,6',8,8'-tetramethoxy-2,2'-dimethyl-2',3'-dihydro-4H,4'H-[7,10'-binaphtho[2,3-b]pyran]-4,4'-dione Manual Xref Database HMDB0033768 HMDB View more database links Registry Numbers Types Sources 5209919 Reaxys Registry Number Reaxys 95152-76-4 CAS Registry Number HMDB Citation Type Source 21176790 PubMed citation Europe PMC Last Modified 01 November 2016