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CHEBI:133761 - asperpyrone B

ChEBI IDCHEBI:133761
ChEBI Nameasperpyrone B
Stars
DefinitionA dimeric naphthopyran with formula C32H26O10, originally isolated from Aspergillus niger.
Last Modified1 November 2016
SubmitterJubra
DownloadsMolfile
FormulaC32H26O10
Net Charge0
Average Mass570.550
Monoisotopic Mass570.15260
SMILESCOc1cc(OC)c2c(c1)c(-c1c(OC)cc3cc(O)c4c(=O)cc(C)oc4c3c1OC)c(O)c1c(=O)cc(C)oc12
InChIInChI=1S/C32H26O10/c1-13-7-18(33)26-20(35)9-15-10-21(38-4)28(30(40-6)23(15)31(26)41-13)25-17-11-16(37-3)12-22(39-5)24(17)32-27(29(25)36)19(34)8-14(2)42-32/h7-12,35-36H,1-6H3
InChIKeyADLOVFYPOQTFMO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus niger ATCC 1015 (ncbitaxon:380704) - PubMed (21176790) Strain: ATCC 11414
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
asperpyrone B (CHEBI:133761) has role Aspergillus metabolite (CHEBI:76956)
asperpyrone B (CHEBI:133761) is a aromatic ether (CHEBI:35618)
asperpyrone B (CHEBI:133761) is a aromatic ketone (CHEBI:76224)
asperpyrone B (CHEBI:133761) is a biaryl (CHEBI:64459)
asperpyrone B (CHEBI:133761) is a cyclic ketone (CHEBI:3992)
asperpyrone B (CHEBI:133761) is a naphtho-γ-pyrone (CHEBI:64542)
asperpyrone B (CHEBI:133761) is a polyphenol (CHEBI:26195)
IUPAC Name 
5,5'-dihydroxy-8,8',10,10'-tetramethoxy-2,2'-dimethyl-4H,4'H-[6,9'-binaphtho[1,2-b]pyran]-4,4'-dione
Manual XrefsDatabases
11114482PubChem Compound
C00044551KNApSAcK
Registry NumbersSources
Reaxys:9460000Reaxys
CAS:491868-99-6KNApSAcK
Citations