Marvin  05100609472D          

 11 11  0  0  1  0            999 V2000
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 10  4  1  0  0  0  0
  1  4  1  0  0  0  0
  2 10  1  0  0  0  0
  5  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  5  2  0  0  0  0
 10  8  1  0  0  0  0
  5  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  6  0  0  0
M  END
> <ID>
CHEBI:15383

> <NAME>
(4S)-limonene

> <DEFINITION>
An optically active form of limonene having (4S)-configuration.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:10765; CHEBI:10778; CHEBI:97; CHEBI:10766; CHEBI:18468

> <SYNONYM>
L-limonene; L-Limonen; 4alphaH-p-mentha-1,8-diene; (S)-p-mentha-1,8-diene; (S)-1-methyl-4-(1-methylethenyl)cyclohexene; (S)-(-)-p-mentha-1,8-diene; (4S)-limonene; (4S)-4-isopropenyl-1-methylcyclohexene; (4S)-1-methyl-4-isopropenylcyclohex-1-ene; (-)-Limonene; (-)-(S)-Limonene; (-)-(4S)-Limonene; (-)-(S)-limonene

> <IUPAC_NAME>
(4S)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene

> <FORMULA>
C10H16

> <MASS>
136.23404

> <MONOISOTOPIC_MASS>
136.12520

> <CHARGE>
0

> <SMILES>
[H][C@@]1(CCC(C)=CC1)C(C)=C

> <INCHI>
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1

> <INCHIKEY>
XMGQYMWWDOXHJM-SNVBAGLBSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2323991

> <CAS_REGISTRY_NUMBER>
5989-54-8

> <GMELIN_REGISTRY_NUMBER>
363574

> <CHEMIDPLUS>
5989-54-8

> <KEGG_COMPOUND_ACCESSION>
C00521

> <KNAPSACK_ACCESSION>
C00000803

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPR0102090002

> <NIST_CHEMISTRY_WEBBOOK>
5989-54-8

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