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English
CHEMBL3277901
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
thujane monoterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
154.135765196
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
thujyl alcohol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(+)-thujan-3-ol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(+)-Neoisothujol
1 reference
based on heuristic
inferred from InChI
(+)-thujan-3-ol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₀H₁₈O
0 references
canonical SMILES
CC1C(O)CC2(C(C)C)CC12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@@H]1[C@H]2C[C@]2(C[C@H]1O)C(C)C
0 references
Identifiers
InChI
InChI=1S/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3/t7-,8-,9-,10+/m1/s1
0 references
InChIKey
DZVXRFMREAADPP-KYXWUPHJSA-N
0 references
CAS Registry Number
21653-18-9
0 references
PubChem CID
12304607
1 reference
matched by identifier from
InChIKey
InChIKey
DZVXRFMREAADPP-KYXWUPHJSA-N
UniChem compound ID
53392697
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10486715
1 reference
matched by identifier from
InChIKey
InChIKey
DZVXRFMREAADPP-KYXWUPHJSA-N
DSSTOX compound identifier
DTXCID10437525
0 references
KNApSAcK ID
C00056007
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DZVXRFMREAADPP-KYXWUPHJSA-N
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