CHEBI:36614 - grayanotoxane

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ChEBI Name grayanotoxane
ChEBI ID CHEBI:36614
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C20H34
Net Charge 0
Average Mass 274.48396
Monoisotopic Mass 274.26605
InChI InChI=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
InChIKey OPCBUBFCCPXFES-NPMIKPEISA-N
SMILES [H][C@@]12CCC(C)(C)[C@@]1([H])CC[C@]13C[C@H](C)[C@H](CC[C@@]1([H])[C@@H]2C)C3
ChEBI Ontology
Outgoing grayanotoxane (CHEBI:36614) is a diterpene (CHEBI:35190)
grayanotoxane (CHEBI:36614) is a terpenoid fundamental parent (CHEBI:35662)
Incoming grayanotoxin I (CHEBI:5542) has parent hydride grayanotoxane (CHEBI:36614)
IUPAC Name
grayanotoxane
Last Modified
25 September 2006