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Nepetalic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(1R,5R)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
(1'R)-Nepetalic acid
1 reference
based on heuristic
inferred from SMILES
mass
184.109944372
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1R,2S,5R)-2-methyl-5-[(2S)-1-oxopropan-2-yl]cyclopentane-1-carboxylic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,2S,5S)-2-methyl-5-[(2R)-1-oxopropan-2-yl]cyclopentane-1-carboxylic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Cyclopentanecarboxylic acid, 2-methyl-5-(1-methyl-2-oxoethyl)-, [1S-[1alpha,2beta,5beta(S*)]]-
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₀H₁₆O₃
0 references
canonical SMILES
O=CC(C)C1CCC(C)C1C(=O)O
0 references
isomeric SMILES
C[C@H]1CC[C@@H]([C@@H]1C(=O)O)[C@@H](C)C=O
0 references
found in taxon
Nepeta teydea
1 reference
stated in
Essential oil analysis ofNepeta teydea Webb. & Berth
Identifiers
InChI
InChI=1S/C10H16O3/c1-6-3-4-8(7(2)5-11)9(6)10(12)13/h5-9H,3-4H2,1-2H3,(H,12,13)/t6-,7-,8+,9+/m0/s1
0 references
InChIKey
RGTMAXSVLBZNEL-RBXMUDONSA-N
0 references
CAS Registry Number
524-06-1
1 reference
InChIKey
RGTMAXSVLBZNEL-RBXMUDONSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=524-06-1
PubChem CID
5486616
1 reference
matched by identifier from
InChIKey
InChIKey
RGTMAXSVLBZNEL-RBXMUDONSA-N
UniChem compound ID
65761058
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40200406
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
RGTMAXSVLBZNEL-RBXMUDONSA-N
DSSTOX compound identifier
DTXCID00122897
0 references
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