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(Q82747470)
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English
(3R,3aR,6R,8aS)-7,7-Dimethyl-8-methylideneoctahydro-1H-3a,6-methanoazulene-3-carboxylic acid
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
zizaanes
1 reference
based on heuristic
inferred from SMILES
mass
234.161979944
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
zizanoic acid
1 reference
based on heuristic
inferred from InChIKey
(1S,2S,5S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecane-2-carboxylic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₂
0 references
canonical SMILES
C=C1C2CCC(C(=O)O)C23CCC(C3)C1(C)C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1([C@@H]2CC[C@@]3(C2)[C@@H](C1=C)CC[C@H]3C(=O)O)C
0 references
Identifiers
InChI
InChI=1S/C15H22O2/c1-9-11-4-5-12(13(16)17)15(11)7-6-10(8-15)14(9,2)3/h10-12H,1,4-8H2,2-3H3,(H,16,17)/t10-,11-,12+,15-/m1/s1
0 references
InChIKey
IJGMVUXEZUEDJR-MCYUEQNJSA-N
0 references
CAS Registry Number
22387-77-5
0 references
PubChem CID
71359006
1 reference
matched by identifier from
InChIKey
InChIKey
IJGMVUXEZUEDJR-MCYUEQNJSA-N
UniChem compound ID
49495788
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60782895
1 reference
matched by identifier from
InChIKey
InChIKey
IJGMVUXEZUEDJR-MCYUEQNJSA-N
DSSTOX compound identifier
DTXCID90733638
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