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(Q104254499)
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English
(4aR,7R,7aS)-4,7-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
nepetalactone
1 reference
based on heuristic
inferred from SMILES
mass
166.099379688
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
( )-(4as,7S,7as)-nepetalactone
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(4aS,7R,7aR)-4,7-dimethyl-4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
( )-(4as,7S,7ar)-nepetalactone
1 reference
based on heuristic
inferred from InChI
( )-(4ar,7S,7as)-nepetalactone
1 reference
based on heuristic
inferred from InChI
Nepetalactone, 4aa,7b, 7ab
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₀H₁₄O₂
0 references
canonical SMILES
O=C1OC=C(C)C2CCC(C)C12
0 references
isomeric SMILES
CC1=COC(=O)[C@H]2[C@H](C)CC[C@@H]12
0 references
found in taxon
Nepeta ciliaris
1 reference
stated in
Cyclopentanomonoterpene enol acetates from Nepeta leucophylla
Nepeta crassifolia
1 reference
stated in
Composition of the Essential Oil fromNepeta crassifolia Boiss. & Buhse
Nepeta binaloudensis
1 reference
stated in
Composition of the essential oils ofNepeta ispahanica Boiss. andNepeta binaludensis Jamzad from Iran
Nepeta cataria
2 references
stated in
Biosynthesis of nepetalactone in Nepeta cataria
stated in
14CO2 incorporation into nepetalactone
Nepeta nepetella
1 reference
stated in
Constituents of Essential Oil of Nepeta nepetella
Schizaphis graminum
1 reference
stated in
The sex pheromone of the greenbug, Schizaphis graminum
Identifiers
InChI
InChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3/t6-,8 ,9 /m1/s1
0 references
InChIKey
ZDKZHVNKFOXMND-YEPSODPASA-N
0 references
PubChem CID
12311117
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
SureChEMBL ID
SCHEMBL24228242
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZDKZHVNKFOXMND-YEPSODPASA-N
UniChem compound ID
33420993
1 reference
stated in
UniChem
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