Aurasperone e
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Formula: C32H28O11
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Molecular weight: 588.60
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Smiles: CC1=CC(=O)C2=C(C3=C(C=C(C=C3OC)OC)C(=C2O1)C4=C(C5=C(C6=C(C=C5C=C4OC)OC(CC6=O)(C)O)O)OC)O
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Type: Bis-naphthopyrone
Aurasperone e
Names
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Mycotoxin name: Aurasperone e
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First synonym: Aurasperone e
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Synonyms: Aurasperone E,UNII-N3TET3875D,71722-01-5,N3TET3875D,Fonsecinone D,2,3-Dihydro-2-hydroxyaurasperone A,MEGxm0_000088,ACon0_001058,DTXSID20992337,CHEBI:169831,10-(2,5-dihydroxy-6,8-dimethoxy-2-methyl-4-oxo-3H-benzo[g]chromen-7-yl)-5-hydroxy-6,8-dimethoxy-2-methylbenzo[g]chromen-4-one,Q27284518,10-(2,5-dihydroxy-6,8-dimethoxy-2-methyl-4-oxo-3H-benzo[g]chromen-7-yl)-5-hydroxy-6,8-dimethoxy-2-methyl-benzo[g]chromen-4-one,2,5,5'-Trihydroxy-6,6',8,8'-tetramethoxy-2,2'-dimethyl-2,3-dihydro-4H,4'H-[7,10'-binaphtho[2,3-b]pyran]-4,4'-dione,2,5-DIHYDROXY-7-{5-HYDROXY-6,8-DIMETHOXY-2-METHYL-4-OXO-4H-BENZO[G]CHROMEN-10-YL}-6,8-DIMETHOXY-2-METHYL-2H,3H,4H-NAPHTHO[2,3-B]PYRAN-4-ONE,95272-15-4
Identifiers / External links
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CAS: 71722-01-5,95272-15-4
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PubChem CID: 188114
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ChemSpiderID: 163514
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US FDA (UNII): UNII-N3TET3875D
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Wikidata (wiki): Q27284518
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Chemical Entities of Biological Interest (CHEBI): CHEBI:169831
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CompTox Chemicals Dashboard (DTXSID): DTXSID20992337
Structure
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Smiles: CC1=CC(=O)C2=C(C3=C(C=C(C=C3OC)OC)C(=C2O1)C4=C(C5=C(C6=C(C=C5C=C4OC)OC(CC6=O)(C)O)O)OC)O
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Isomeric smiles: CC1=CC(=O)C2=C(C3=C(C=C(C=C3OC)OC)C(=C2O1)C4=C(C5=C(C6=C(C=C5C=C4OC)OC(CC6=O)(C)O)O)OC)O
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Inchi: InChI=1S/C32H28O11/c1-13-7-17(33)26-29(36)23-16(10-15(38-3)11-20(23)40-5)24(31(26)42-13)27-19(39-4)8-14-9-21-25(18(34)12-32(2,37)43-21)28(35)22(14)30(27)41-6/h7-11,35-37H,12H2,1-6H3
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Inchikey: XQLGSHUQZMPBGG-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C32H28O11
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Molecular weight: 588.60
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Monoisotopic mass: 588.16316171
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Fungi
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Fungi id Species 176 Aspergillus niger