Marvin  09110711332D          
 
 15 16  0  0  1  0            999 V2000
    0.0000   -0.8250    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  1  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
    1.4991   -0.6674    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9840    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4991    0.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4991   -0.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9840    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7540   -1.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4991    0.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7540   -1.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5610   -1.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  3  1  1  1  0  0  0
  3  6  1  0  0  0  0
  2  4  2  0  0  0  0
  4 13  1  0  0  0  0
  3  5  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  1  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <ID>
CHEBI:8207

> <NAME>
(+)-pilocarpine

> <DEFINITION>
The (+)-enantiomer of pilocarpine.

> <STAR>
3

> <SYNONYM>
Pilocarpine; (3S-cis)-3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-2(3H)-furanone; (3S,4R)-3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-2(3H)-furanone; (+)-pilocarpine

> <IUPAC_NAME>
(3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one

> <FORMULA>
C11H16N2O2

> <MASS>
208.25702

> <MONOISOTOPIC_MASS>
208.12118

> <CHARGE>
0

> <SMILES>
CC[C@H]1[C@H](COC1=O)Cc1cncn1C

> <INCHI>
InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1

> <INCHIKEY>
QCHFTSOMWOSFHM-WPRPVWTQSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
86187

> <CAS_REGISTRY_NUMBER>
92-13-7

> <REAXYS_REGISTRY_NUMBER>
86187

> <CHEMIDPLUS>
92-13-7

> <KEGG_COMPOUND_ACCESSION>
C07474

> <KEGG_DRUG_ACCESSION>
D00525

> <KNAPSACK_ACCESSION>
C00002355

> <LINCS_ACCESSION>
LSM-5909

> <NIST_CHEMISTRY_WEBBOOK>
92-13-7

> <WIKIPEDIA_ACCESSION>
Pilocarpine

> <PUBMED_CITATION>
24595384

$$$$