Aspergillimide
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Formula: C20H29N3O3
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Molecular weight: 359.50
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Smiles: CC1CCN2C13CC4C(C5(CC(=O)N(C5=O)C)CC4(C2)N(C3=O)C)(C)C
Aspergillimide
Names
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Mycotoxin name: Aspergillimide
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First synonym: Aspergillimide
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Synonyms: Aspergillimide,195966-93-9,Asperparaline A,(1R,3'R,5aR,8aR,9aS)-rel-(-)-tetrahydro-1,1',8,8,11-pentamethyl-spiro[5H,6H-5a,9a-(iminomethano)-1H-cyclopent[f]indolizine-7(8H),3'-pyrrolidine]-2',5',10-trione,DTXSID201017581,(1S,6S,9S,11S)-1',6,10,10,13-pentamethylspiro[3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane-11,3'-pyrrolidine]-2',5',14-trione
Identifiers / External links
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CAS: 195966-93-9
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PubChem CID: 154701594
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ChemSpiderID: 8770011
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CompTox Chemicals Dashboard (DTXSID): DTXSID201017581
Structure
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Smiles: CC1CCN2C13CC4C(C5(CC(=O)N(C5=O)C)CC4(C2)N(C3=O)C)(C)C
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Isomeric smiles: C[C@H]1CCN2C13C[C@@H]4[C@](C2)(C[C@@]5(C4(C)C)CC(=O)N(C5=O)C)N(C3=O)C
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Inchi: InChI=1S/C20H29N3O3/c1-12-6-7-23-11-19-10-18(9-14(24)21(4)15(18)25)17(2,3)13(19)8-20(12,23)16(26)22(19)5/h12-13H,6-11H2,1-5H3/t12-,13-,18-,19+,20?/m0/s1
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Inchikey: RTNMRJRMTGSUAE-UXVBPGSQSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C20H29N3O3
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Molecular weight: 359.50
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Monoisotopic mass: 359.2208918
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Fungi
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Fungi id Species 165 Aspergillus japonicus JV-23