-OEChem-03311014132D

 31 34  0     1  0  0  0  0  0999 V2000
   25.8767  -16.8709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0282  -23.0780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.7669  -14.8197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.9364  -16.9144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.7285  -20.3554    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   27.1032  -18.9720    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   23.5468  -21.0471    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   25.9100  -21.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0975  -20.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2964  -18.2803    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   23.5468  -22.4016    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   25.9044  -18.2861    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   24.7160  -18.9835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4836  -20.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8919  -22.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4836  -18.9835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7343  -23.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3652  -20.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2907  -16.9315    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   22.3652  -23.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0975  -17.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5353  -19.6982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2124  -22.4016    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   21.2124  -21.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4492  -16.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3970  -15.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6134  -16.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7720  -16.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7285  -21.6350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.5759  -17.9288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.5468  -23.7841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  6  0  0  0
 23  2  1  6  0  0  0
  3 28  2  0  0  0  0
  4 28  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  5 29  1  6  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 21  1  1  0  0  0
  7 11  1  0  0  0  0
  7 18  1  0  0  0  0
  7 22  1  1  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 14  1  0  0  0  0
 10 16  1  0  0  0  0
 10 19  1  0  0  0  0
 10 30  1  6  0  0  0
 11 17  1  0  0  0  0
 11 20  1  0  0  0  0
 11 31  1  1  0  0  0
 12 13  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 19 26  1  6  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
17396372

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C15375

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 641-81-6
LipidBank: BBA0224

> <PUBCHEM_SUBSTANCE_SYNONYM>
3alpha,12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid
641-81-6
Apocholic acid
C15375

> <PUBCHEM_GENERIC_REGISTRY_NAME>
641-81-6

> <PUBCHEM_XREF_EXT_ID>
C15375

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C15375

> <PUBCHEM_CID_ASSOCIATIONS>
101818  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
12  1  6
10  30  6
11  31  5
19  26  6
23  2  6
5  29  6
6  21  5
7  22  5

$$$$