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CHEBI:228910 - Sophocarpine

ChEBI IDCHEBI:228910
ChEBI NameSophocarpine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22N2O
Net Charge0
Average Mass246.354
Monoisotopic Mass246.17321
SMILES[H][C@@]12CCCN3CCC[C@@]([H])([C@@]31[H])[C@@]1([H])CC=CC(=O)N1C2
InChIInChI=1S/C15H22N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,7,11-13,15H,2-6,8-10H2/t11-,12+,13+,15-/m0/s1
InChIKeyAAGFPTSOPGCENQ-JLNYLFASSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
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)
Sophocarpine (CHEBI:228910) is a alkaloid (CHEBI:22315)
IUPAC Name 
(1R,2R,9S,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
Manual XrefsDatabases
103136ChemSpider