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CHEBI:36614 - grayanotoxane

ChEBI IDCHEBI:36614
ChEBI Namegrayanotoxane
Stars
Last Modified24 September 2006
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC20H34
Net Charge0
Average Mass274.492
Monoisotopic Mass274.26605
SMILES[H][C@@]12CC[C@@H]3C[C@@]1(CC[C@]1([H])C(C)(C)CC[C@@]1([H])[C@H]2C)C[C@@H]3C
InChIInChI=1S/C20H34/c1-13-11-20-10-8-18-16(7-9-19(18,3)4)14(2)17(20)6-5-15(13)12-20/h13-18H,5-12H2,1-4H3/t13-,14+,15+,16-,17-,18-,20+/m0/s1
InChIKeyOPCBUBFCCPXFES-NPMIKPEISA-N
ChEBI Ontology
Outgoing Relation(s)
grayanotoxane (CHEBI:36614) is a diterpene (CHEBI:35190)
grayanotoxane (CHEBI:36614) is a terpenoid fundamental parent (CHEBI:35662)
Incoming Relation(s)
grayanotoxin I (CHEBI:5542) has parent hydride grayanotoxane (CHEBI:36614)
IUPAC Name 
grayanotoxane