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(Q83023994)
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Vicodiol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Bicyclo[2.2.1]heptane-7-methanol, 2-hydroxy-1,7-dimethyl-
1 reference
based on heuristic
inferred from SMILES
(2S,4R,7R)-7-(hydroxymethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
1 reference
based on heuristic
inferred from SMILES
(2R)-7-(hydroxymethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
1 reference
based on heuristic
inferred from SMILES
mass
170.130679816
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,2S,4S,7S)-7-(hydroxymethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
1 reference
based on heuristic
inferred from InChI
(1S,2S,4R,7R)-7-(hydroxymethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₀H₁₈O₂
0 references
canonical SMILES
OCC1(C)C2CCC1(C)C(O)C2
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isomeric SMILES
C[C@@]12CC[C@@H]([C@]1(C)CO)C[C@@H]2O
0 references
found in taxon
Vicoa indica
1 reference
stated in
Isolation and Characterization of Vicodiol, a New Monoterpenediol from Vicoa indica
Ichthyothere terminalis
1 reference
stated in
New melampolides, kaurene derivatives and other constituents from Ichthyothere species
Identifiers
InChI
InChI=1S/C10H18O2/c1-9-4-3-7(5-8(9)12)10(9,2)6-11/h7-8,11-12H,3-6H2,1-2H3/t7-,8+,9+,10+/m1/s1
0 references
InChIKey
NMQKRFRZSBQYQF-KATARQTJSA-N
0 references
CAS Registry Number
128898-66-8
0 references
PubChem CID
182938
1 reference
matched by identifier from
InChIKey
InChIKey
NMQKRFRZSBQYQF-KATARQTJSA-N
UniChem compound ID
63123383
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50156001
1 reference
matched by identifier from
InChIKey
InChIKey
NMQKRFRZSBQYQF-KATARQTJSA-N
DSSTOX compound identifier
DTXCID1078492
0 references
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