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CHEBI:200025 - Chanoclavine II

Default Structure
ChEBI IDCHEBI:200025
ChEBI NameChanoclavine II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20N2O
Net Charge0
Average Mass256.349
Monoisotopic Mass256.15756
SMILESCN[C@@H]1Cc2cnc3cccc(c23)[C@@H]1/C=C(\C)CO
InChIInChI=1S/C16H20N2O/c1-10(9-19)6-13-12-4-3-5-14-16(12)11(8-18-14)7-15(13)17-2/h3-6,8,13,15,17-19H,7,9H2,1-2H3/b10-6+/t13-,15+/m0/s1
InChIKeySAHHMCVYMGARBT-GJTNBUKJSA-N
Species of MetaboliteComponentSourceComments
Claviceps purpurea (ncbitaxon:5111) - DOI (10.1002/hlca.19640470811)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Chanoclavine II (CHEBI:200025) is a alkaloid (CHEBI:22315)
IUPAC Name 
(E)-2-methyl-3-[(4R,5S)-4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]prop-2-en-1-ol
Manual XrefsDatabases
32702224ChemSpider