CHEBI:133761 - asperpyrone B

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ChEBI Name asperpyrone B
ChEBI ID CHEBI:133761
Definition A dimeric naphthopyran with formula C32H26O10, originally isolated from Aspergillus niger.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Julian Brandl
Supplier Information
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Formula C32H26O10
Net Charge 0
Average Mass 570.544
Monoisotopic Mass 570.15260
InChI InChI=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
InChIKey ADLOVFYPOQTFMO-UHFFFAOYSA-N
SMILES O1C=2C3=C(C(C4=C(OC)C=5C(C=C4OC)=CC(O)=C6C5OC(=CC6=O)C)=C(O)C2C(=O)C=C1C)C=C(OC)C=C3OC
Metabolite of Species Details
Aspergillus niger ATCC 1015 (NCBI:txid380704) of strain ATCC 11414 See: PubMed
Roles Classification
Biological Role(s): Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
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ChEBI Ontology
Outgoing 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 Xrefs Databases
11114482 PubChem
C00044551 KNApSAcK
View more database links
Registry Numbers Types Sources
491868-99-6 CAS Registry Number KNApSAcK
9460000 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12542363 PubMed citation Europe PMC
15556711 PubMed citation Europe PMC
21176790 PubMed citation Europe PMC
Last Modified
01 November 2016