Aurasperone d
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Formula: C31H24O10
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Molecular weight: 556.50
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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=C6O)OC)O)C(=O)C=C(O5)C)OC
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Type: Bis-naphthopyrone
Aurasperone d
Names
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Mycotoxin name: Aurasperone d
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First synonym: Aurasperone d
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Synonyms: Aurasperone D,UNII-1521994599,67924-64-5,(7,10'-Bi-4H-naphtho(2,3-b)pyran)-4,4'-dione, 5,5',6'-trihydroxy-6,8,8'-trimethoxy-2,2'-dimethyl-,BRN 1445809,5-19-07-00182 (Beilstein Handbook Reference),CHEBI:2925,DTXSID80218141,C08995,Q27105883,5,6-dihydroxy-10-{5-hydroxy-6,8-dimethoxy-2-methyl-4-oxo-4H-benzo[g]chromen-7-yl}-8-methoxy-2-methyl-4H-benzo[g]chromen-4-one
Identifiers / External links
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CAS: 19-07-0,67924-64-5
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PubChem CID: 155008
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ChemSpiderID: 136565
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US FDA (UNII): UNII-1521994599
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Wikidata (wiki): Q27105883
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Chemical Entities of Biological Interest (CHEBI): CHEBI:2925
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CompTox Chemicals Dashboard (DTXSID): DTXSID80218141
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=C6O)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=C6O)OC)O)C(=O)C=C(O5)C)OC
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Inchi: InChI=1S/C31H24O10/c1-12-6-17(32)25-21(40-12)9-14-8-20(38-4)27(30(39-5)22(14)28(25)35)24-16-10-15(37-3)11-19(34)23(16)29(36)26-18(33)7-13(2)41-31(24)26/h6-11,34-36H,1-5H3
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Inchikey: DVSATZLPJVYIRI-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C31H24O10
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Molecular weight: 556.50
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Monoisotopic mass: 556.13694696
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Fungi
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Fungi id Species 176 Aspergillus niger