L 657398
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Formula: C21H35NO
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Molecular weight: 317.50
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Smiles: CCCCCCCCCC1CC(C(N1C)CC2=CC=CC=C2)O
L 657398
Names
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Mycotoxin name: L 657398
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First synonym: Preussin
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Synonyms: Preussin,2-benzyl-1-methyl-5-nonylpyrrolidin-3-ol,119463-16-0,Preussin, (+)-isomer,SCHEMBL852408,L 657398,L-657,398,DTXSID00922975,MCULE-1286816112,L-657398,3-Pyrrolidinol, 1-methyl-5-nonyl-2-(phenylemthyl)-,3-Pyrrolidinol, 1-methyl-5-nonyl-2-(phenylmethyl)-,NCGC00385689-01!2-benzyl-1-methyl-5-nonylpyrrolidin-3-ol
Identifiers / External links
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CAS: 119463-16-0
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PubChem CID: 3081195
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DSS TOX CID: DTXCID701351841
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ChemSpiderID: 2338855
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ChEMBL: CHEMBL852408
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CompTox Chemicals Dashboard (DTXSID): DTXSID00922975
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SCHEMBL: SCHEMBL852408
Structure
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Smiles: CCCCCCCCCC1CC(C(N1C)CC2=CC=CC=C2)O
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Isomeric smiles: CCCCCCCCCC1CC(C(N1C)CC2=CC=CC=C2)O
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Inchi: InChI=1S/C21H35NO/c1-3-4-5-6-7-8-12-15-19-17-21(23)20(22(19)2)16-18-13-10-9-11-14-18/h9-11,13-14,19-21,23H,3-8,12,15-17H2,1-2H3
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Inchikey: GBCXKHLKJHRTAB-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C21H35NO
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Molecular weight: 317.50
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Monoisotopic mass: 317.27186474
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Fungi
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Fungi id Species 192 Aspergillus ochraceus ATCC 22947