Aurasperone b
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Formula: C32H30O12
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Molecular weight: 606.60
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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)CC(O5)(C)O)OC)O
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Type: Bis-naphthopyrone
Aurasperone b
Names
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Mycotoxin name: Aurasperone b
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First synonym: Aurasperone b
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Synonyms: Aurasperone B,UNII-C0NK50O4Q6,41689-67-2,C0NK50O4Q6,7-(2,5-dihydroxy-6,8-dimethoxy-2-methyl-4-oxo-3H-benzo[g]chromen-10-yl)-2,5-dihydroxy-6,8-dimethoxy-2-methyl-3H-benzo[g]chromen-4-one,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,Aurosperone B,MLS004256129,DTXSID40961904,CHEBI:133756,SMR003081014,Q27275021
Identifiers / External links
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CAS: 41689-67-2
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PubChem CID: 179522
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ChemSpiderID: 156261
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US FDA (UNII): UNII-C0NK50O4Q6
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Wikidata (wiki): Q27275021,Q6
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Chemical Entities of Biological Interest (CHEBI): CHEBI:133756
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CompTox Chemicals Dashboard (DTXSID): DTXSID40961904
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)CC(O5)(C)O)OC)O
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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)CC(O5)(C)O)OC)O
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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
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Inchikey: VIFQAHKDYKZMMS-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C32H30O12
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Molecular weight: 606.60
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Monoisotopic mass: 606.17372639
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Fungi
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Fungi id Species 92 Aspergillus awamori 176 Aspergillus niger