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CHEBI:68720 - chaetochromin C

ChEBI IDCHEBI:68720
ChEBI Namechaetochromin C
Stars
DefinitionA biaryl that is 2,2',3,3'-tetrahydro-4H,4'H-9,9'-bibenzo[g]chromene-4,4'-dione substituted by hydroxy groups at positions 5, 5', 6, 6', 8 and 8' and methyl groups at positions 2, 2' and 3 (the 2R,3R stereoisomer). It has been isolated from Chaetomium gracile.
Last Modified13 January 2014
DownloadsMolfile
FormulaC29H24O10
Net Charge0
Average Mass532.501
Monoisotopic Mass532.13695
SMILESCC1CC(=O)c2c(cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@H](C)[C@@H](C)C6=O)c(O)cc(O)c3c2O)O1
InChIInChI=1S/C29H24O10/c1-9-4-14(30)25-19(38-9)5-12-21(15(31)7-17(33)23(12)28(25)36)22-13-6-20-26(27(35)10(2)11(3)39-20)29(37)24(13)18(34)8-16(22)32/h5-11,31-34,36-37H,4H2,1-3H3/t9?,10-,11-/m1/s1
InChIKeyZHECJFNKDQXHIW-FHZGLPGMSA-N
Species of MetaboliteComponentSourceComments
Chaetomium gracile (ncbitaxon:47794) - PubMed (3594673)
Roles Classification
Biological Role:
Chaetomium metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Chaetomium.
ChEBI Ontology
Outgoing Relation(s)
chaetochromin C (CHEBI:68720) has role Chaetomium metabolite (CHEBI:76960)
chaetochromin C (CHEBI:68720) is a benzochromenone (CHEBI:64986)
chaetochromin C (CHEBI:68720) is a biaryl (CHEBI:64459)
chaetochromin C (CHEBI:68720) is a phenols (CHEBI:33853)
IUPAC Name 
(2R,3R)-5,5',6,6',8,8'-hexahydroxy-2,2',3-trimethyl-2,2',3,3'-tetrahydro-4H,4'H-9,9'-bibenzo[g]chromene-4,4'-dione
Manual XrefsDatabases
24679261ChemSpider
Registry NumbersSources
Reaxys:5787447Reaxys
Citations