(Q105236063)

English

(1R,2S,5S)-2-methyl-5-[(2R)-1-oxopropan-2-yl]cyclopentane-1-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

(1R,5R)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carboxylic acid

1 reference

1 reference

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

Cyclopentanecarboxylic acid, 2-methyl-5-(1-methyl-2-oxoethyl)-, [1S-[1alpha,2beta,5beta(S*)]]-

1 reference

1 reference

C₁₀H₁₆O₃

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canonical SMILES

O=CC(C)C1CCC(C)C1C(=O)O

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isomeric SMILES

C[C@H]1CC[C@@H]([C@@H](C)C=O)[C@@H]1C(=O)O

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found in taxon

Nepeta caesarea

1 reference

stated in

Constituents of Nepeta caesarea

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

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InChIKey

RGTMAXSVLBZNEL-XSPKLOCKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RGTMAXSVLBZNEL-XSPKLOCKSA-N

(Q105236063)

(1R,2S,5S)-2-methyl-5-[(2R)-1-oxopropan-2-yl]cyclopentane-1-carboxylic acid

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