ChEBI
  Marvin  12060612012D          

 11 11  0  0  1  0            999 V2000
    5.4097   -3.8818    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6972   -4.3193    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9847   -3.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9847   -3.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6972   -2.6318    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4097   -3.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1222   -4.2818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6972   -1.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4097   -5.5568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6972   -5.1443    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9847   -5.5568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  1  0  0  0
  3  2  1  0  0  0  0
  2 10  1  6  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  5  8  1  1  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
> <ID>
CHEBI:15409

> <NAME>
(-)-menthol

> <DEFINITION>
A p-menthan-3-ol which has (1R,2S,5R)-stereochemistry. It is the most common naturally occurring enantiomer.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:101; CHEBI:10779; CHEBI:18493

> <SYNONYM>
l-menthol; L-Menthol; (1R-(1-alpha,2-beta,5-alpha))-5-methyl-2-(1-methylethyl)cyclohexanol; (1R,3R,4S)-(-)-menthol; (1alpha,2beta,5alpha)-5-methyl-2(1-methylethyl)cyclohexanol; (-)-Menthol; (-)-menthol; (-)-(1R,3R,4S)-menthol

> <IUPAC_NAME>
(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol

> <INN>
levomentol; levomentholum; levomenthol; levomenthol

> <FORMULA>
C10H20O

> <MASS>
156.26520

> <MONOISOTOPIC_MASS>
156.15142

> <CHARGE>
0

> <SMILES>
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O

> <INCHI>
InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1

> <INCHIKEY>
NOOLISFMXDJSKH-KXUCPTDWSA-N

> <CAS_REGISTRY_NUMBER>
2216-51-5

> <REAXYS_REGISTRY_NUMBER>
1902293

> <DRUGBANK_ACCESSION>
DB00825

> <KEGG_COMPOUND_ACCESSION>
C00400

> <KEGG_DRUG_ACCESSION>
D00064

> <KNAPSACK_ACCESSION>
C00000810

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPR0102090001

> <METACYC_ACCESSION>
--MENTHOL

> <NIST_CHEMISTRY_WEBBOOK>
2216-51-5

> <WIKIPEDIA_ACCESSION>
Menthol

> <PUBMED_CITATION>
17021997; 17498839; 18640225; 21353674; 22218824; 22348831; 23800946; 23963768; 7974298

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