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(Q82099473)
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Methyl 4-methyloctanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
wax monoester
0 references
mass
172.14632988
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₂₀O₂
0 references
canonical SMILES
O=C(OC)CCC(C)CCCC
0 references
found in taxon
Humulus lupulus
1 reference
stated in
Rapid Differentiation of Chinese Hops Varieties (Humulus lupulus) Using Volatile Fingerprinting by HS-SPME-GC-MS Combined with Multivariate Statistical Analysis
Identifiers
InChI
InChI=1S/C10H20O2/c1-4-5-6-9(2)7-8-10(11)12-3/h9H,4-8H2,1-3H3
0 references
InChIKey
MGQFXJXUQLOUMY-UHFFFAOYSA-N
0 references
CAS Registry Number
15870-07-2
0 references
PubChem CID
519186
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
MGQFXJXUQLOUMY-UHFFFAOYSA-N
ChEBI ID
179558
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C10H20O2/c1-4-5-6-9(2)7-8-10(11)12-3/h9H,4-8H2,1-3H3
UniChem compound ID
26201735
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60333907
1 reference
matched by identifier from
InChIKey
InChIKey
MGQFXJXUQLOUMY-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30284997
0 references
KNApSAcK ID
C00060154
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MGQFXJXUQLOUMY-UHFFFAOYSA-N
LIPID MAPS ID
LMFA07010520
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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