-OEChem-06111213162D

 15 15  0     1  0  0  0  0  0999 V2000
    6.9545   -7.9303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3208   -5.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4738   -5.2864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5966   -6.7109    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9674   -6.0672    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8747   -6.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2497   -6.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3185   -6.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6378   -6.3340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -7.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0029   -4.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6845   -7.4552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4958   -5.5333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6083   -5.9917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0333   -5.9875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  6  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  1  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  6  0  0  0
  6  7  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
24889907

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
Sigma-Aldrich

> <PUBCHEM_EXT_DATASOURCE_REGID>
93550_FLUKA

> <PUBCHEM_SUBSTANCE_SYNONYM>
2,3-Dihydro-3alpha-hydroxy-8-methylnortropidine
3-Tropanol
93550_FLUKA
N-Methyl-8-azabicyclo[3.2.1]octan-3-ol
Tropine
endo-8-Methyl-8-azabicyclo[3.2.1]octan-3-ol

> <PUBCHEM_XREF_EXT_ID>
93550_FLUKA

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.sigmaaldrich.com?cm_mmc=PubChem-_-public%20database-_-products-_-products

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.sigmaaldrich.com/catalog/search/ProductDetail/FLUKA/93550?cm_mmc=PubChem-_-public%20database-_-products-_-products

> <PUBCHEM_CID_ASSOCIATIONS>
16218784  1
962  2
449293  2

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
10  1  6
4  12  5
5  13  6

$$$$