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(Q82862940)
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English
3-Heptanone, 4-methyl-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic acyclic ketone
0 references
mass
128.120115132
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₁₆O
0 references
canonical SMILES
O=C(CC)C(C)CCC
0 references
found in taxon
Pogonomyrmex rugosus
1 reference
stated in
Phenylalkenals in ponerine(Leptogenys sp.) and myrmicine (Pogonomyrmex sp.) ants
Leiobunum townsendi
1 reference
stated in
Ketones and alcohols in the defensive secretion of Leiobunum townsendi weed and a review of the known exocrine secretions of Palpatores (Arachnida:Opiliones)
Leptogenys diminuta
1 reference
stated in
(3R,4S)-Methyl-3-heptanol, the trail pheromone of the ant Leptogenys diminuta
Identifiers
InChI
InChI=1S/C8H16O/c1-4-6-7(3)8(9)5-2/h7H,4-6H2,1-3H3
0 references
InChIKey
MVLRILUUXLBENA-UHFFFAOYSA-N
0 references
CAS Registry Number
6137-11-7
1 reference
InChIKey
MVLRILUUXLBENA-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=6137-11-7
PubChem CID
22512
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
MVLRILUUXLBENA-UHFFFAOYSA-N
ChEBI ID
195232
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C8H16O/c1-4-6-7(3)8(9)5-2/h7H,4-6H2,1-3H3
SureChEMBL ID
SCHEMBL268557
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MVLRILUUXLBENA-UHFFFAOYSA-N
UniChem compound ID
23402214
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20884228
1 reference
matched by identifier from
InChIKey
InChIKey
MVLRILUUXLBENA-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID901006076
0 references
UNII
A4JK9GW89J
1 reference
matched by identifier from
InChIKey
InChIKey
MVLRILUUXLBENA-UHFFFAOYSA-N
LIPID MAPS ID
LMFA12000031
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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