Didemethylasterriquinone d
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Formula: C22H14N2O4
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Molecular weight: 370.40
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Smiles: C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)C(=C(C3=O)O)C4=CNC5=CC=CC=C54)O
Didemethylasterriquinone d
Names
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Mycotoxin name: Didemethylasterriquinone d
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First synonym: Didemethylasterriquinone d
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Synonyms: Didemethylasterriquinone D,Quinone D-1,2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3,6-di-1H-indol-3-yl-,3,6-Dihydroxy-2,5-diindol-3'-yl-1,4-benzoquinone,78860-40-9,Didemethylasterriquinone,DDAQ D,SCHEMBL6254420,DTXSID10229346,2,5-Bis(1H-indol-3-yl)-3,6-dihydroxy-1,4-benzoquinone,2,5-dihydroxy-3,6-bis(1H-indol-3-yl)-1,4-benzoquinone
Identifiers / External links
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CAS: 78860-40-9
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PubChem CID: 452720
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ChemSpiderID: 398757
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ChEMBL: CHEMBL6254420
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CompTox Chemicals Dashboard (DTXSID): DTXSID10229346
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SCHEMBL: SCHEMBL6254420
Structure
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Smiles: C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)C(=C(C3=O)O)C4=CNC5=CC=CC=C54)O
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Isomeric smiles: C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)C(=C(C3=O)O)C4=CNC5=CC=CC=C54)O
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Inchi: InChI=1S/C22H14N2O4/c25-19-17(13-9-23-15-7-3-1-5-11(13)15)20(26)22(28)18(21(19)27)14-10-24-16-8-4-2-6-12(14)16/h1-10,23-25,28H
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Inchikey: HNGJGZFTQRJUIF-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C22H14N2O4
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Molecular weight: 370.40
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Monoisotopic mass: 370.09535693
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Fungi
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Fungi id Species 174 Aspergillus nidulans