Isolysergol
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Formula: C16H18N2O
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Molecular weight: 254.33
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Smiles: CN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)CO
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Type: Ergot alkaloid
Isolysergol
Names
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Mycotoxin name: Isolysergol
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First synonym: None
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Synonyms: Isolysergol,478-93-3,Ergoline-8-methanol, 9,10-didehydro-6-methyl-, (8alpha)-,DTXSID90197291,((6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo(4,3-fg)quinolin-9-yl)methanol,[(6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol,SCHEMBL25042461,DTXCID00119782
Identifiers / External links
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CAS: 478-93-3
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PubChem CID: 929091
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DSS TOX CID: DTXCID00119782
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ChemSpiderID: 809752
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ChEMBL: CHEMBL25042461
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CompTox Chemicals Dashboard (DTXSID): DTXSID90197291
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SCHEMBL: SCHEMBL25042461
Structure
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Smiles: CN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)CO
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Isomeric smiles: CN1C[C@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)CO
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Inchi: InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3/t10-,15+/m0/s1
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Inchikey: BIXJFIJYBLJTMK-ZUZCIYMTSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C16H18N2O
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Molecular weight: 254.33
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Monoisotopic mass: 254.141913202
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Fungi
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Fungi id Species 367 Claviceps purpurea