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CHEBI:133762 - asperpyrone C

ChEBI IDCHEBI:133762
ChEBI Nameasperpyrone C
Stars
DefinitionA dimeric naphthopyran with formula C32H26O10, originally isolated from Aspergillus niger.
Last Modified8 November 2016
SubmitterJubra
DownloadsMolfile
FormulaC32H26O10
Net Charge0
Average Mass570.550
Monoisotopic Mass570.15260
SMILESCOc1cc(OC)c2c(c1)c(-c1c(OC)cc3cc4oc(C)cc(=O)c4c(O)c3c1OC)c(O)c1c(=O)cc(C)oc12
InChIInChI=1S/C32H26O10/c1-13-7-18(33)26-22(41-13)10-15-9-20(38-4)28(31(40-6)23(15)29(26)35)25-17-11-16(37-3)12-21(39-5)24(17)32-27(30(25)36)19(34)8-14(2)42-32/h7-12,35-36H,1-6H3
InChIKeyYVLPJBAIVAPEFU-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 C (CHEBI:133762) has role Aspergillus metabolite (CHEBI:76956)
asperpyrone C (CHEBI:133762) is a aromatic ether (CHEBI:35618)
asperpyrone C (CHEBI:133762) is a aromatic ketone (CHEBI:76224)
asperpyrone C (CHEBI:133762) is a biaryl (CHEBI:64459)
asperpyrone C (CHEBI:133762) is a cyclic ketone (CHEBI:3992)
asperpyrone C (CHEBI:133762) is a naphtho-γ-pyrone (CHEBI:64542)
asperpyrone C (CHEBI:133762) is a polyphenol (CHEBI:26195)
IUPAC Name 
5-hydroxy-7-(5-hydroxy-8,10-dimethoxy-2-methyl-4-oxo-4H-naphtho[1,2-b]pyran-6-yl)-6,8-dimethoxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one
Manual XrefsDatabases
10995389PubChem Compound
C00044552KNApSAcK
Registry NumbersSources
Reaxys:9460647Reaxys
CAS:491869-00-2KNApSAcK
Citations