Chanoclavine-i aldehyde
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Formula: C16H18N2O
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Molecular weight: 254.33
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Smiles: CC(=CC1C(CC2=CNC3=CC=CC1=C23)NC)C=O
Chanoclavine-i aldehyde
Names
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Mycotoxin name: Chanoclavine-i aldehyde
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First synonym: None
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Synonyms: chanoclavine-I aldehyde,Chanoclavine aldehyde,25800-42-4,2-Propenal, 2-methyl-3-(1,3,4,5-tetrahydro-4-(methylamino)benz(cd)indol-5-yl)-, (4R-(4alpha,5beta(E)))-,(2E)-2-methyl-3-[(4R,5R)-4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]prop-2-enal,CHEBI:64429,C20379,Q27133276
Identifiers / External links
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CAS: 25800-42-4
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PubChem CID: 56955929
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ChemSpiderID: 28184635
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Wikidata (wiki): Q27133276
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Chemical Entities of Biological Interest (CHEBI): CHEBI:64429
Structure
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Smiles: CC(=CC1C(CC2=CNC3=CC=CC1=C23)NC)C=O
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Isomeric smiles: C/C(=C\[C@H]1[C@@H](CC2=CNC3=CC=CC1=C23)NC)/C=O
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Inchi: InChI=1S/C16H18N2O/c1-10(9-19)6-13-12-4-3-5-14-16(12)11(8-18-14)7-15(13)17-2/h3-6,8-9,13,15,17-18H,7H2,1-2H3/b10-6+/t13-,15-/m1/s1
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Inchikey: XFKPUSAZRRAPSC-HEESEWQSSA-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 368 Claviceps purpurea 20.1