Dihydroxyisoechinulin a
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Formula: C24H31N3O4
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Molecular weight: 425.50
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Smiles: CC1C(=O)NC(=CC2=C(NC3=C2C=C(C=C3)CC(C(C)(C)O)O)C(C)(C)C=C)C(=O)N1
Dihydroxyisoechinulin a
Names
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Mycotoxin name: Dihydroxyisoechinulin a
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First synonym: Dihydroxyisoechinulin a
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Synonyms: dihydroxyisoechinulin A,CHEMBL251228
Identifiers / External links
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PubChem CID: 10071070
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ChemSpiderID: 8246610
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ChEMBL: CHEMBL251228,CHEMBL3417721
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Chemical Entities of Biological Interest (CHEBI): CHEBI:204416
Structure
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Smiles: CC1C(=O)NC(=CC2=C(NC3=C2C=C(C=C3)CC(C(C)(C)O)O)C(C)(C)C=C)C(=O)N1
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Isomeric smiles: C[C@H]1C(=O)N/C(=C\C2=C(NC3=C2C=C(C=C3)C[C@@H](C(C)(C)O)O)C(C)(C)C=C)/C(=O)N1
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Inchi: InChI=1S/C24H31N3O4/c1-7-23(3,4)20-16(12-18-22(30)25-13(2)21(29)27-18)15-10-14(8-9-17(15)26-20)11-19(28)24(5,6)31/h7-10,12-13,19,26,28,31H,1,11H2,2-6H3,(H,25,30)(H,27,29)/b18-12-/t13-,19-/m0/s1
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Inchikey: ICDCJXUIMDWCFI-OWBKGHKZSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C24H31N3O4
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Molecular weight: 425.50
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Monoisotopic mass: 425.23145648
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Fungi
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Fungi id Species 284 Aspergillus variecolor