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(Q82099892)
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Methyl 5-methylhexanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
wax monoester
0 references
mass
144.115029752
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₁₆O₂
0 references
canonical SMILES
CC(C)CCCC(=O)OC
0 references
found in taxon
Humulus lupulus
2 references
stated in
Rapid Differentiation of Chinese Hops Varieties (Humulus lupulus) Using Volatile Fingerprinting by HS-SPME-GC-MS Combined with Multivariate Statistical Analysis
stated in
Direct thermal desorption-gas chromatography and gas chromatography-mass spectrometry profiling of hop (Humulus lupulus L.) essential oils in support of varietal characterization
Identifiers
InChI
InChI=1S/C8H16O2/c1-7(2)5-4-6-8(9)10-3/h7H,4-6H2,1-3H3
0 references
InChIKey
VMHVFMBDCWCBHO-UHFFFAOYSA-N
0 references
CAS Registry Number
2177-83-5
1 reference
InChIKey
VMHVFMBDCWCBHO-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=2177-83-5
PubChem CID
519894
1 reference
matched by identifier from
InChIKey
InChIKey
VMHVFMBDCWCBHO-UHFFFAOYSA-N
ChEBI ID
179944
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C8H16O2/c1-7(2)5-4-6-8(9)10-3/h7H,4-6H2,1-3H3
SureChEMBL ID
SCHEMBL130826
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VMHVFMBDCWCBHO-UHFFFAOYSA-N
UniChem compound ID
25350092
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50334185
1 reference
matched by identifier from
InChIKey
InChIKey
VMHVFMBDCWCBHO-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60285275
0 references
Human Metabolome Database ID
HMDB0031596
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VMHVFMBDCWCBHO-UHFFFAOYSA-N
KNApSAcK ID
C00060808
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VMHVFMBDCWCBHO-UHFFFAOYSA-N
UNII
UA4G97FAB4
1 reference
matched by identifier from
InChIKey
InChIKey
VMHVFMBDCWCBHO-UHFFFAOYSA-N
LIPID MAPS ID
LMFA07010957
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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