CHEBI:68800 - chaetochromin D

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ChEBI Name chaetochromin D ChEBI ID CHEBI:68800 Definition A biaryl that is 2,3-dihydro-4H,4ʼH-9,9ʼ-bibenzo[g]chromene-4,4ʼ-dione substituted by hydroxy groups at positions 5, 5ʼ, 6, 6ʼ, 8 and 8ʼ and methyl groups at positions 2, 2ʼ, 3 and 3ʼ. It has been isolated from Chaetomium gracile. 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 C30H24O10 Net Charge 0 Average Mass 544.50560 Monoisotopic Mass 544.13695 InChI InChI=1S/C30H24O10/c1-9-11(3)39-19-5-13-21(15(31)7-17(33)23(13)29(37)25(19)27(9)35)22-14-6-20-26(28(36)10(2)12(4)40-20)30(38)24(14)18(34)8-16(22)32/h5-9,11,31-34,37-38H,1-4H3/t9-,11-/m0/s1 InChIKey OXYDHUNPMSPUCC-ONGXEEELSA-N SMILES C[C@@H]1Oc2cc3c(c(O)cc(O)c3c(O)c2C(=O)[C@H]1C)-c1c(O)cc(O)c2c(O)c3c(cc12)oc(C)c(C)c3=O Metabolite of Species Details Chaetomium gracile (NCBI:txid47794) See: PubMed Roles Classification Biological Role(s): Chaetomium metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Chaetomium. View more via ChEBI Ontology ChEBI Ontology Outgoing chaetochromin D (CHEBI:68800) has role Chaetomium metabolite (CHEBI:76960) chaetochromin D (CHEBI:68800) is a benzochromenone (CHEBI:64986) chaetochromin D (CHEBI:68800) is a biaryl (CHEBI:64459) chaetochromin D (CHEBI:68800) is a phenols (CHEBI:33853) IUPAC Name (2S,3S)-5,5ʼ,6,6ʼ,8,8ʼ-hexahydroxy-2,2ʼ,3,3ʼ-tetramethyl-2,3-dihydro-4H,4ʼH-9,9ʼ-bibenzo[g]chromene-4,4ʼ-dione Manual Xref Database 4587927 ChemSpider View more database links Registry Number Type Source 5686127 Reaxys Registry Number Reaxys Citation Type Source 3594673 PubMed citation Europe PMC Last Modified 13 January 2014