Aurasperone a
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Formula: C32H26O10
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Molecular weight: 570.50
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Smiles: CC1=CC(=O)C2=C(O1)C=C3C=C(C(=C(C3=C2O)OC)C4=C5C(=C(C6=C4C=C(C=C6OC)OC)O)C(=O)C=C(O5)C)OC
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Type: Bis-naphthopyrone
Aurasperone a
Names
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Mycotoxin name: Aurasperone a
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First synonym: Aurasperone a
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Synonyms: Aurasperone A,Aurasperone,UNII-B9PTQ8Z021,15085-74-2,B9PTQ8Z021,(7,10'-Bi-4H-naphtho(2,3-b)pyran)-4,4'-dione, 5,5'-dihydroxy-6,6',8,8'-tetramethoxy-2,2'-dimethyl-,5-hydroxy-7-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-6,8-dimethoxy-2-methylbenzo[g]chromen-4-one,CHEMBL450763,DTXSID30164629,CHEBI:133760,Q27274553,5,5'-Dihydroxy-6,6',8,8'-tetramethoxy-2,2'-dimethyl-7,10'-bi-4H-naphtho[2,3-b]pyran-4,4'-dione, 9CI,5-HYDROXY-10-{5-HYDROXY-6,8-DIMETHOXY-2-METHYL-4-OXO-4H-BENZO[G]CHROMEN-7-YL}-6,8-DIMETHOXY-2-METHYL-4H-BENZO[G]CHROMEN-4-ONE,5-hydroxy-7-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxo-benzo[g]chromen-10-yl)-6,8-dimethoxy-2-methyl-benzo[g]chromen-4-one
Identifiers / External links
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CAS: 15085-74-2
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PubChem CID: 3084216
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ChemSpiderID: 2341316
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ChEMBL: CHEMBL450763
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US FDA (UNII): UNII-B9PTQ8Z021
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Wikidata (wiki): Q27274553,Q8
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Chemical Entities of Biological Interest (CHEBI): CHEBI:133760
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CompTox Chemicals Dashboard (DTXSID): DTXSID30164629
Structure
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Smiles: CC1=CC(=O)C2=C(O1)C=C3C=C(C(=C(C3=C2O)OC)C4=C5C(=C(C6=C4C=C(C=C6OC)OC)O)C(=O)C=C(O5)C)OC
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Isomeric smiles: CC1=CC(=O)C2=C(O1)C=C3C=C(C(=C(C3=C2O)OC)C4=C5C(=C(C6=C4C=C(C=C6OC)OC)O)C(=O)C=C(O5)C)OC
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Inchi: InChI=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)30(36)27-19(34)8-14(2)42-32(25)27/h7-12,35-36H,1-6H3
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Inchikey: QAHRSPAZSGMZMT-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C32H26O10
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Molecular weight: 570.50
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Monoisotopic mass: 570.15259702
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Fungi
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Fungi id Species 92 Aspergillus awamori 176 Aspergillus niger