CHEBI:133756 - aurasperone B

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ChEBI Name aurasperone B
ChEBI ID CHEBI:133756
Definition A dimeric naphthopyran with formula C32H30O12, isolated from several Aspergillus species.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Julian Brandl
Supplier Information
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Formula C32H30O12
Net Charge 0
Average Mass 606.575
Monoisotopic Mass 606.17373
InChI InChI=1S/C32H30O12/c1-31(37)11-16(33)24-20(43-31)8-13-7-18(40-4)26(29(42-6)21(13)27(24)35)23-15-9-14(39-3)10-19(41-5)22(15)28(36)25-17(34)12-32(2,38)44-30(23)25/h7-10,35-38H,11-12H2,1-6H3
InChIKey VIFQAHKDYKZMMS-UHFFFAOYSA-N
SMILES C=1(C2=C(C=C(C1)OC)C(=C3C(=C2O)C(CC(O3)(C)O)=O)C=4C(=C5C(=CC4OC)C=C6C(=C5O)C(CC(O6)(C)O)=O)OC)OC
Metabolite of Species Details
Aspergillus neoniger (NCBI:txid1196635) See: PubMed
Aspergillus eucalypticola (NCBI:txid1340029) See: PubMed
Aspergillus vadensis (NCBI:txid288669) See: PubMed
Aspergillus niger ATCC 1015 (NCBI:txid380704) See: PubMed
Alternaria alternata (NCBI:txid5599) See: PubMed
Roles Classification
Biological Role(s): marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
View more via ChEBI Ontology
ChEBI Ontology
Outgoing aurasperone B (CHEBI:133756) has role Aspergillus metabolite (CHEBI:76956)
aurasperone B (CHEBI:133756) has role marine metabolite (CHEBI:76507)
aurasperone B (CHEBI:133756) is a aromatic ether (CHEBI:35618)
aurasperone B (CHEBI:133756) is a aromatic ketone (CHEBI:76224)
aurasperone B (CHEBI:133756) is a biaryl (CHEBI:64459)
aurasperone B (CHEBI:133756) is a cyclic hemiketal (CHEBI:59780)
aurasperone B (CHEBI:133756) is a cyclic ketone (CHEBI:3992)
aurasperone B (CHEBI:133756) is a naphtho-γ-pyrone (CHEBI:64542)
aurasperone B (CHEBI:133756) is a polyphenol (CHEBI:26195)
IUPAC Name
2,2',5,5'-tetrahydroxy-6,6',8,8'-tetramethoxy-2,2'-dimethyl-2,2',3,3'-tetrahydro-4H,4'H-[7,10'-binaphtho[2,3-b]pyran]-4,4'-dione
Manual Xrefs Databases
179522 PubChem
HMDB0030857 HMDB
View more database links
Registry Numbers Types Sources
2612093 Reaxys Registry Number Reaxys
41689-67-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
15803385 PubMed citation Europe PMC
16076634 PubMed citation Europe PMC
20003296 PubMed citation Europe PMC
21652743 PubMed citation Europe PMC
21892239 PubMed citation Europe PMC
22377027 PubMed citation Europe PMC
25809933 PubMed citation Europe PMC
27245874 PubMed citation Europe PMC
6548104 PubMed citation Europe PMC
Last Modified
01 November 2016