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(Q82925614)
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Methyl 2-methylhexadecanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic acyclic ester
0 references
mass
284.271530392
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₃₆O₂
0 references
canonical SMILES
O=C(OC)C(C)CCCCCCCCCCCCCC
0 references
found in taxon
Allium ampeloprasum
1 reference
stated in
Volatile Compounds in Leek and Asafoetida
Identifiers
InChI
InChI=1S/C18H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18(19)20-3/h17H,4-16H2,1-3H3
0 references
InChIKey
OAMQXAKDCJRWHE-UHFFFAOYSA-N
0 references
CAS Registry Number
2490-53-1
0 references
PubChem CID
94236
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OAMQXAKDCJRWHE-UHFFFAOYSA-N
UniChem compound ID
24579616
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP001858
0 references
DSSTox substance ID
DTXSID30947792
1 reference
matched by identifier from
InChIKey
InChIKey
OAMQXAKDCJRWHE-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID401376044
0 references
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