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(Q67880130)
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English
trans-isopulegone
chemical compound
(2R,5S)-5-Methyl-2-(1-methylethenyl)cyclohexanone
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Statements
instance of
type of chemical entity
0 references
subclass of
menthane monoterpenoids
0 references
mass
152.120115132
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(+)-cis-isopulegone
1 reference
based on heuristic
inferred from InChI
(-)-isopulegone
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₀H₁₆O
0 references
canonical SMILES
O=C1CC(C)CCC1C(=C)C
0 references
isomeric SMILES
C[C@H]1CC[C@@H](C(=O)C1)C(=C)C
0 references
found in taxon
Cannabis sativa
1 reference
stated in
Chemical investigation of wild Cannabis sativa L. roots
Clinopodium barbatum
1 reference
stated in
The Essential Oil ofMicromeria fruticosa(L.) Druce subsp.barbata(Boiss et. Ky.), P. H. Davis
Identifiers
InChI
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1
0 references
InChIKey
RMIANEGNSBUGDJ-DTWKUNHWSA-N
0 references
CAS Registry Number
57129-09-6
2 references
reference URL
http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=ERN62726IX
InChIKey
RMIANEGNSBUGDJ-DTWKUNHWSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=57129-09-6
PubChem CID
6432305
1 reference
matched by identifier from
InChIKey
InChIKey
RMIANEGNSBUGDJ-DTWKUNHWSA-N
UniChem compound ID
27308428
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID601233729
1 reference
matched by identifier from
InChIKey
InChIKey
RMIANEGNSBUGDJ-DTWKUNHWSA-N
UNII
ERN62726IX
1 reference
matched by identifier from
InChIKey
InChIKey
RMIANEGNSBUGDJ-DTWKUNHWSA-N
681XD66YSR
1 reference
matched by identifier from
InChIKey
InChIKey
RMIANEGNSBUGDJ-DTWKUNHWSA-N
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