Dianhydro-aurasperone c
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Formula: C31H24O10
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Molecular weight: 556.50
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Smiles: CC1=CC(=C2C(=CC3=CC(=O)C(=C(C3=C2O)OC)C4=C5C(=C(C6=C4C=C(C=C6OC)OC)O)C(=O)C=C(O5)C)O1)O
Dianhydro-aurasperone c
Names
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Mycotoxin name: Dianhydro-aurasperone c
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First synonym: Dianhydroaurasperone c
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Synonyms: Dianhydroaurasperone C,92280-05-2,4,5-dihydroxy-7-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-6-methoxy-2-methylbenzo[g]chromen-8-one,Dianhydro-aurasperone C,DTXSID10238953,(7,10-Bi-4H-naphtho(2,3-b)pyran)-4,4'-dione, 5,5',8-trihydroxy-6,6',8'-trimethoxy-2,2'-dimethyl-
Identifiers / External links
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CAS: 92280-05-2
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PubChem CID: 146357
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ChemSpiderID: 4589567
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ChEMBL: CHEMBL4849390
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Chemical Entities of Biological Interest (CHEBI): CHEBI:204929
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CompTox Chemicals Dashboard (DTXSID): DTXSID10238953
Structure
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Smiles: CC1=CC(=C2C(=CC3=CC(=O)C(=C(C3=C2O)OC)C4=C5C(=C(C6=C4C=C(C=C6OC)OC)O)C(=O)C=C(O5)C)O1)O
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Isomeric smiles: CC1=CC(=C2C(=CC3=CC(=O)C(=C(C3=C2O)OC)C4=C5C(=C(C6=C4C=C(C=C6OC)OC)O)C(=O)C=C(O5)C)O1)O
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Inchi: InChI=1S/C31H24O10/c1-12-6-17(32)25-21(40-12)9-14-8-19(34)26(30(39-5)22(14)28(25)35)24-16-10-15(37-3)11-20(38-4)23(16)29(36)27-18(33)7-13(2)41-31(24)27/h6-11,32,35-36H,1-5H3
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Inchikey: JYRJNZCKAAGZGP-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