Aspergillazine D
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Formula: C20H22N2O9
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Molecular weight: 434.40
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Smiles: COC1=C(C2=C(C=C1)C=C(C(=O)O2)NC(=O)C3(CC4(C(O3)C=CC(C4O)O)O)N)OC
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Type: Dipeptide
Aspergillazine D
Names
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Mycotoxin name: Aspergillazine D
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First synonym: None
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Synonyms: Aspergillazine D,(2S,3aR,4S,5R,7aR)-2-amino-N-(7,8-dimethoxy-2-oxochromen-3-yl)-3a,4,5-trihydroxy-3,4,5,7a-tetrahydro-1-benzofuran-2-carboxamide,CHEBI:221293,(2S,3AR,4S,5R,7ar)-2-amino-N-(7,8-dimethoxy-2-oxo-2H-chromen-3-yl)-3a,4,5-trihydroxy-2,3,3a,4,5,7a-hexahydro-1-benzofuran-2-carboximidate,(2S,3aR,4S,5R,7aR)-2-amino-N-(7,8-dimethoxy-2-oxochromen-3-yl)-3a,4,5-trihydroxy-3,4,5,7a-tetrahydro-1-benzouran-2-carboxamide
Identifiers / External links
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PubChem CID: 11339499
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ChemSpiderID: 9514442
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Chemical Entities of Biological Interest (CHEBI): CHEBI:221293
Structure
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Smiles: COC1=C(C2=C(C=C1)C=C(C(=O)O2)NC(=O)C3(CC4(C(O3)C=CC(C4O)O)O)N)OC
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Isomeric smiles: COC1=C(C2=C(C=C1)C=C(C(=O)O2)NC(=O)[C@@]3(C[C@@]4([C@H](O3)C=C[C@H]([C@@H]4O)O)O)N)OC
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Inchi: InChI=1S/C20H22N2O9/c1-28-12-5-3-9-7-10(17(25)30-14(9)15(12)29-2)22-18(26)20(21)8-19(27)13(31-20)6-4-11(23)16(19)24/h3-7,11,13,16,23-24,27H,8,21H2,1-2H3,(H,22,26)/t11-,13-,16+,19+,20+/m1/s1
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Inchikey: YZDMAZKSIAAIAV-JKRAONCPSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C20H22N2O9
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Molecular weight: 434.40
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Monoisotopic mass: 434.13253028
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Fungi
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Fungi id Species