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ChEBI
> Main
CHEBI:36614 - grayanotoxane
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ChEBI Ontology
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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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Molfile
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