CHEBI:68719 - chaetochromin B

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ChEBI Name chaetochromin B ChEBI ID CHEBI:68719 Definition A biaryl that is 2,2ʼ,3,3ʼ-tetrahydro-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 (the 2R,2ʼS,3R,3ʼR stereoisomer). 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 C30H26O10 Net Charge 0 Average Mass 546.52140 Monoisotopic Mass 546.15260 InChI InChI=1S/C30H26O10/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/h5-12,31-34,37-38H,1-4H3/t9-,10-,11-,12+/m1/s1 InChIKey RHNVLFNWDGWACV-KKOKHZNYSA-N SMILES C[C@H]1Oc2cc3c(c(O)cc(O)c3c(O)c2C(=O)[C@@H]1C)-c1c(O)cc(O)c2c(O)c3C(=O)[C@H](C)[C@H](C)Oc3cc12 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 B (CHEBI:68719) has role Chaetomium metabolite (CHEBI:76960) chaetochromin B (CHEBI:68719) is a benzochromenone (CHEBI:64986) chaetochromin B (CHEBI:68719) is a biaryl (CHEBI:64459) chaetochromin B (CHEBI:68719) is a phenols (CHEBI:33853) IUPAC Name (2R,2ʼS,3R,3ʼR)-5,5ʼ,6,6ʼ,8,8ʼ-hexahydroxy-2,2ʼ,3,3ʼ-tetramethyl-2,2ʼ,3,3ʼ-tetrahydro-4H,4ʼH-9,9ʼ-bibenzo[g]chromene-4,4ʼ-dione Manual Xref Database 24672344 ChemSpider View more database links Registry Number Type Source 5787639 Reaxys Registry Number Reaxys Citation Type Source 3594673 PubMed citation Europe PMC Last Modified 13 January 2014