18 20  0  0  1  0  0  0  0  0999 V2000
   31.2091  -17.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5229  -17.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1834  -16.6672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5229  -15.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2091  -15.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5560  -16.6672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2086  -18.9065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.5321  -18.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1642  -20.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.5007  -17.6826    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.5074  -16.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5074  -17.2022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0502  -16.1671    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   25.9673  -17.2022    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   25.2123  -15.2415    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   25.0207  -16.7687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4818  -17.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2052  -13.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  7  8  1  0     0  0
 10 11  1  0     0  0
 10 12  1  0     0  0
 11 13  1  0     0  0
 12 14  1  0     0  0
 13 15  1  0     0  0
 13 16  1  0     0  0
 14 17  1  0     0  0
 14 15  1  0     0  0
 16 17  1  0     0  0
 10  7  1  6     0  0
  8  1  1  0     0  0
 15 18  1  0     0  0
  8  9  2  0     0  0
M  END
> <ID>
CHEBI:3043

> <NAME>
Benzoyltropein

> <STAR>
2

> <SYNONYM>
Benzoyltropine; Benzoyltropein

> <FORMULA>
C15H19NO2

> <MASS>
245.317

> <MONOISOTOPIC_MASS>
245.14158

> <CHARGE>
0

> <SMILES>
CN1C2CCC1C[C@H](C2)OC(=O)c1ccccc1

> <INCHI>
InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3

> <INCHIKEY>
XQJMXPAEFMWDOZ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
19145-60-9

> <KEGG_COMPOUND_ACCESSION>
C11381

> <KNAPSACK_ACCESSION>
C00025552

$$$$