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CHEBI:224643 - Agroclavine I

ChEBI IDCHEBI:224643
ChEBI NameAgroclavine I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18N2
Net Charge0
Average Mass238.334
Monoisotopic Mass238.14700
SMILESCC1=C[C@H]2c3cccc4ncc(c34)C[C@H]2N(C)C1
InChIInChI=1S/C16H18N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,8,13,15,17H,7,9H2,1-2H3/t13-,15+/m0/s1
InChIKeyXJOOMMHNYOJWCZ-DZGCQCFKSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/s0040-4039(01)91162-1)
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)
Agroclavine I (CHEBI:224643) is a alkaloid (CHEBI:22315)
IUPAC Name 
(6aR,10aS)-7,9-dimethyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-g]quinoline
Manual XrefsDatabases
139178ChemSpider