Variecolorin a
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Formula: C24H30ClN3O3
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Molecular weight: 444.00
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Smiles: CC1C(=O)NC(=CC2=C(NC3=C2C=C(C=C3)CC(C(C)(C)Cl)O)C(C)(C)C=C)C(=O)N1
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Type: Isoechinulin-type Alkaloids V
Variecolorin a
Names
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Mycotoxin name: Variecolorin a
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First synonym: Variecolorin a
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Synonyms: variecolorin A,CHEMBL400169
Identifiers / External links
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CAS: 957780-65-3
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PubChem CID: 23655345
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ChEMBL: CHEMBL400169
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Chemical Entities of Biological Interest (CHEBI): CHEBI:222037
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CompTox Chemicals Dashboard (DTXSID): DTXSID701101424
Structure
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Smiles: CC1C(=O)NC(=CC2=C(NC3=C2C=C(C=C3)CC(C(C)(C)Cl)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)Cl)O)C(C)(C)C=C)/C(=O)N1
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Inchi: InChI=1S/C24H30ClN3O3/c1-7-23(3,4)20-16(12-18-22(31)26-13(2)21(30)28-18)15-10-14(8-9-17(15)27-20)11-19(29)24(5,6)25/h7-10,12-13,19,27,29H,1,11H2,2-6H3,(H,26,31)(H,28,30)/b18-12-/t13-,19+/m0/s1
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Inchikey: DKFVASQTSIAAEU-RKFKHAPCSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C24H30ClN3O3
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Molecular weight: 444.00
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Monoisotopic mass: 443.1975695
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Fungi
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Fungi id Species 284 Aspergillus variecolor