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CHEBI:68719 - chaetochromin B

ChEBI IDCHEBI:68719
ChEBI Namechaetochromin B
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', 3 and 3' (the 2R,2'S,3R,3'R stereoisomer). It has been isolated from Chaetomium gracile.
Last Modified13 January 2014
DownloadsMolfile
FormulaC30H26O10
Net Charge0
Average Mass546.528
Monoisotopic Mass546.15260
SMILESC[C@@H]1Oc2cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@H](C)[C@@H](C)C6=O)c(O)cc(O)c3c(O)c2C(=O)[C@@H]1C
InChIInChI=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
InChIKeyRHNVLFNWDGWACV-KKOKHZNYSA-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 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,2'S,3R,3'R)-5,5',6,6',8,8'-hexahydroxy-2,2',3,3'-tetramethyl-2,2',3,3'-tetrahydro-4H,4'H-9,9'-bibenzo[g]chromene-4,4'-dione
Manual XrefsDatabases
24672344ChemSpider
Registry NumbersSources
Reaxys:5787639Reaxys
Citations