N-methylloline
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Formula: C9H16N2O
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Molecular weight: 168.24
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Smiles: CN(C)C1C2CN3C1C(O2)CC3
N-methylloline
Names
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Mycotoxin name: N-methylloline
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First synonym: N-methylloline
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Synonyms: N-Methylloline,(1s,6r,7r,7as)-n,n-dimethylhexahydro-1h-1,6-epoxypyrrolizin-7-amine,22143-50-6,Loline, N-methyl- (6CI,7CI,8CI),DTXSID80944791,2,4-Methano-4H-furo(3,2-b)pyrrol-3-amine, hexahydro-N,N-dimethyl-, (2R-(2-alpha,3-alpha,3a-beta,4-alpha,6a-beta))-,N,N-Dimethylhexahydro-1H-1,6-epoxypyrrolizin-7-amine
Identifiers / External links
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CAS: 22143-50-6
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PubChem CID: 168027
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ChemSpiderID: 146986
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Chemical Entities of Biological Interest (CHEBI): CHEBI:210176
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CompTox Chemicals Dashboard (DTXSID): DTXSID80944791
Structure
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Smiles: CN(C)C1C2CN3C1C(O2)CC3
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Isomeric smiles: CN(C)[C@H]1[C@H]2CN3[C@@H]1[C@@H](O2)CC3
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Inchi: InChI=1S/C9H16N2O/c1-10(2)8-7-5-11-4-3-6(12-7)9(8)11/h6-9H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1
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Inchikey: FIWXXQWEVIQSAB-UYXSQOIJSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C9H16N2O
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Molecular weight: 168.24
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Monoisotopic mass: 168.126263138
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Fungi
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Fungi id Species 499 Epichloe uncinata e167