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(Q105194544)
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English
(S)-Neolyratyl acetate
group of stereoisomers with the chemical formula C₁₂H₁₈O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
2,5-dimethyl-3-ethylhexane monoterpenoid
1 reference
inferred from
2,5-dimethyl-3-ethylhexane monoterpenoid
biogenic acyclic ester
1 reference
inferred from
biogenic acyclic ester
mass
194.130679816
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₈O₂
0 references
canonical SMILES
O=C(OCC(=C)C(C=C)C=C(C)C)C
0 references
Identifiers
InChI
InChI=1S/C12H18O2/c1-6-12(7-9(2)3)10(4)8-14-11(5)13/h6-7,12H,1,4,8H2,2-3,5H3
0 references
InChIKey
OMXMXPLKVRQEIQ-UHFFFAOYSA-N
0 references
CAS Registry Number
79507-87-2
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
101413630
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OMXMXPLKVRQEIQ-UHFFFAOYSA-N
UniChem compound ID
31994929
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID801200011
1 reference
matched by identifier from
InChIKey
InChIKey
OMXMXPLKVRQEIQ-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0041497
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OMXMXPLKVRQEIQ-UHFFFAOYSA-N
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