EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:226996 - 6,7-seco-Agroclavine

ChEBI IDCHEBI:226996
ChEBI Name6,7-seco-Agroclavine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20N2
Net Charge0
Average Mass240.350
Monoisotopic Mass240.16265
SMILESCN[C@@H]1Cc2cnc3cccc(c23)[C@H]1C=C(C)C
InChIInChI=1S/C16H20N2/c1-10(2)7-13-12-5-4-6-14-16(12)11(9-18-14)8-15(13)17-3/h4-7,9,13,15,17-18H,8H2,1-3H3/t13-,15-/m1/s1
InChIKeyNGJMPUDCQIYVMS-UKRRQHHQSA-N
Species of MetaboliteComponentSourceComments
Claviceps (ncbitaxon:5110) - DOI (10.1016/s0031-9422(00)81912-3)
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)
6,7-seco-Agroclavine (CHEBI:226996) is a alkaloid (CHEBI:22315)
IUPAC Name 
(4R,5R)-N-methyl-5-(2-methylprop-1-enyl)-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
Manual XrefsDatabases
136632ChemSpider