Erginine
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Formula: C16H17N3O
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Molecular weight: 267.33
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Smiles: CN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)C(=O)N
Erginine
Names
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Mycotoxin name: Erginine
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First synonym: Isolysergic acid amide
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Synonyms: Isolysergic acid amide,D-Isolysergic acid amide,Isoergine,UNII-90DGH6Y8E9,2889-26-1,90DGH6Y8E9,(6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide,erginine,SCHEMBL10400706,DTXSID80183082,Ergoline-8-carboxamide, 9,10-didehydro-6-methyl-, (8alpha)-,Q27271318
Identifiers / External links
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CAS: 2889-26-1
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PubChem CID: 12309749
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DSS TOX CID: DTXCID90105573
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ChemSpiderID: 32698654
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ChEMBL: CHEMBL10400706
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US FDA (UNII): UNII-90DGH6Y8E9
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Wikidata (wiki): Q27271318
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CompTox Chemicals Dashboard (DTXSID): DTXSID80183082
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SCHEMBL: SCHEMBL10400706
Structure
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Smiles: CN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)C(=O)N
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Isomeric smiles: CN1C[C@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N
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Inchi: InChI=1S/C16H17N3O/c1-19-8-10(16(17)20)5-12-11-3-2-4-13-15(11)9(7-18-13)6-14(12)19/h2-5,7,10,14,18H,6,8H2,1H3,(H2,17,20)/t10-,14+/m0/s1
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Inchikey: GENAHGKEFJLNJB-IINYFYTJSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C16H17N3O
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Molecular weight: 267.33
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Monoisotopic mass: 267.137162174
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Fungi
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Fungi id Species 367 Claviceps purpurea