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CHEBI:36058 - daphnane

ChEBI IDCHEBI:36058
ChEBI Namedaphnane
Stars
DefinitionA tetracyclic terpene alkaloid and the parent compound of the daphnane subgroup of the squalene-derived Daphniphyllium alkaloids.
Last Modified22 April 2013
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC22H37N
Net Charge0
Average Mass315.545
Monoisotopic Mass315.29260
SMILES[H][C@@]12CCC[C@@]13CC[C@@H]1CN3[C@@]3([H])[C@@H](C(C)C)CC[C@]1(C)[C@]23CCC
InChIInChI=1S/C22H37N/c1-5-10-22-18-7-6-11-21(18)13-8-16-14-23(21)19(22)17(15(2)3)9-12-20(16,22)4/h15-19H,5-14H2,1-4H3/t16-,17-,18-,19+,20+,21-,22-/m1/s1
InChIKeyCGPFADLKIPZYRE-OWLUANBVSA-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)
daphnane (CHEBI:36058) is a diterpene alkaloid (CHEBI:23847)
daphnane (CHEBI:36058) is a terpene alkaloid fundamental parent (CHEBI:38525)
Incoming Relation(s)
daphnetoxin (CHEBI:4321) has functional parent daphnane (CHEBI:36058)
IUPAC Name 
daphnane