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(Q105091217)
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English
acetyl octanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
186.125594436
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₁₈O₃
0 references
canonical SMILES
O=C(OC(=O)CCCCCCC)C
0 references
found in taxon
Mandragora autumnalis
1 reference
stated in
Substances isolated from Mandragora species
Mandragora officinarum
1 reference
stated in
Substances isolated from Mandragora species
Identifiers
InChI
InChI=1S/C10H18O3/c1-3-4-5-6-7-8-10(12)13-9(2)11/h3-8H2,1-2H3
0 references
InChIKey
ADCQBLMDYBHFGK-UHFFFAOYSA-N
0 references
PubChem CID
11309950
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
SureChEMBL ID
SCHEMBL50589
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ADCQBLMDYBHFGK-UHFFFAOYSA-N
UniChem compound ID
26988630
1 reference
stated in
UniChem
UNII
B96Q4683ST
1 reference
matched by identifier from
InChIKey
InChIKey
ADCQBLMDYBHFGK-UHFFFAOYSA-N
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