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CHEBI:211208 - Ergotryptamine

Default Structure
ChEBI IDCHEBI:211208
ChEBI NameErgotryptamine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22N2O
Net Charge0
Average Mass258.365
Monoisotopic Mass258.17321
SMILESCNCCc1cnc2cccc(/C=C/C(C)(C)O)c12
InChIInChI=1S/C16H22N2O/c1-16(2,19)9-7-12-5-4-6-14-15(12)13(11-18-14)8-10-17-3/h4-7,9,11,17-19H,8,10H2,1-3H3/b9-7+
InChIKeyQCWMNSFZHYEJJO-VQHVLOKHSA-N
Species of MetaboliteComponentSourceComments
Aspergillus nidulans (ncbitaxon:162425) - PubMed (25491167)
ChEBI Ontology
Outgoing Relation(s)
Ergotryptamine (CHEBI:211208) is a tryptamines (CHEBI:27162)
IUPAC Name 
(E)-2-methyl-4-[3-[2-(methylamino)ethyl]-1H-indol-4-yl]but-3-en-2-ol
Manual XrefsDatabases
78435476ChemSpider