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CHEBI:36380 - emetan

ChEBI IDCHEBI:36380
ChEBI Nameemetan
Stars
Last Modified1 May 2020
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC25H32N2
Net Charge0
Average Mass360.545
Monoisotopic Mass360.25655
SMILES[H][C@]1(C[C@@]2([H])NCCc3ccccc32)C[C@@]2([H])c3ccccc3CCN2C[C@@H]1CC
InChIInChI=1S/C25H32N2/c1-2-18-17-27-14-12-20-8-4-6-10-23(20)25(27)16-21(18)15-24-22-9-5-3-7-19(22)11-13-26-24/h3-10,18,21,24-26H,2,11-17H2,1H3/t18-,21-,24+,25-/m0/s1
InChIKeyKSQYVPHTTWSOHG-CKBKHPSWSA-N
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)
emetan (CHEBI:36380) is a isoquinoline alkaloid (CHEBI:24921)
emetan (CHEBI:36380) is a isoquinoline alkaloid fundamental parent (CHEBI:38515)
emetan (CHEBI:36380) is a isoquinolines (CHEBI:24922)
Incoming Relation(s)
alangicine (CHEBI:2535) has parent hydride emetan (CHEBI:36380)
cephaeline (CHEBI:3533) has parent hydride emetan (CHEBI:36380)
dehydroemetine (CHEBI:149634) has parent hydride emetan (CHEBI:36380)
emetine (CHEBI:4781) has parent hydride emetan (CHEBI:36380)
klugine (CHEBI:66147) has parent hydride emetan (CHEBI:36380)
IUPAC Name 
emetan