CHEBI:133815 - aurasperone C

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ChEBI Name aurasperone C
ChEBI ID CHEBI:133815
Definition A dimeric naphtho-γ-pyrone with formula C31H28O12, 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 C31H28O12
Net Charge 0
Average Mass 592.548
Monoisotopic Mass 592.15808
InChI InChI=1S/C31H28O12/c1-30(37)10-16(33)23-19(42-30)7-12-6-15(32)24(28(41-5)20(12)26(23)35)22-14-8-13(39-3)9-18(40-4)21(14)27(36)25-17(34)11-31(2,38)43-29(22)25/h6-9,32,35-38H,10-11H2,1-5H3
InChIKey BAIJEJFONPISHA-UHFFFAOYSA-N
SMILES C=1(C2=C(C=C(C1)OC)C(=C3C(=C2O)C(CC(O3)(C)O)=O)C=4C(=C5C(=CC4O)C=C6C(=C5O)C(CC(O6)(C)O)=O)OC)OC
Metabolite of Species Details
Aspergillus niger (NCBI:txid5061) of strain BL-5-1 See: DOI
Aspergillus niger (NCBI:txid5061) of strain BL-5-1 See: DOI
Alternaria alternata (NCBI:txid5599) See: PubMed
Roles Classification
Biological Role(s): Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing aurasperone C (CHEBI:133815) has role Aspergillus metabolite (CHEBI:76956)
aurasperone C (CHEBI:133815) has role marine metabolite (CHEBI:76507)
aurasperone C (CHEBI:133815) is a aromatic ether (CHEBI:35618)
aurasperone C (CHEBI:133815) is a aromatic ketone (CHEBI:76224)
aurasperone C (CHEBI:133815) is a biaryl (CHEBI:64459)
aurasperone C (CHEBI:133815) is a cyclic hemiketal (CHEBI:59780)
aurasperone C (CHEBI:133815) is a cyclic ketone (CHEBI:3992)
aurasperone C (CHEBI:133815) is a naphtho-γ-pyrone (CHEBI:64542)
aurasperone C (CHEBI:133815) is a polyphenol (CHEBI:26195)
IUPAC Name
2,2',5,5',8-pentahydroxy-6,6',8'-trimethoxy-2,2'-dimethyl-2,2',3,3'-tetrahydro-4H,4'H-[7,10'-binaphtho[2,3-b]pyran]-4,4'-dione
Manual Xrefs Databases
156260 ChemSpider
HMDB0030856 HMDB
View more database links
Registry Numbers Types Sources
1417072 Reaxys Registry Number Reaxys
41689-66-1 CAS Registry Number ChemIDplus
41689-66-1 CAS Registry Number HMDB
Citations Waiting for Citations Types Sources
16076634 PubMed citation Europe PMC
22377027 PubMed citation Europe PMC
27447606 PubMed citation Europe PMC
3709472 PubMed citation Europe PMC
Last Modified
02 November 2016