LMST04010176
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    8.3621    8.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4122    8.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4122    7.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3621    6.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3119    7.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2619    6.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2119    7.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2119    8.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2619    8.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3119    8.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2619    9.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2119   10.3801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1617    9.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1617    8.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0617    8.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0617    9.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1118   10.3801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1617   10.6817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3119    8.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1118   11.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2185   11.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8717   11.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6317   11.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3915   11.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.6970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9240    6.5745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2119   11.2003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3119    6.3606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3915   12.4596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1514   11.2575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2119    9.1186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2411    7.8122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1617    7.8836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7269   10.7352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1118   12.1933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  1  0  0  0
 20 21  1  6  0  0  0
  3 25  1  6  0  0  0
  7 26  1  6  0  0  0
 12 27  2  0  0  0  0
  5 28  1  1  0  0  0
 24 29  2  0  0  0  0
 24 30  1  0  0  0  0
  8 31  1  1  0  0  0
  9 32  1  6  0  0  0
 14 33  1  6  0  0  0
 17 34  1  6  0  0  0
 20 35  1  1  0  0  0
M  END
> <LM_ID>
LMST04010176

> <COMMON_NAME>
12-Ketochenodeoxycholic acid

> <SYSTEMATIC_NAME>
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholan-24-oic Acid

> <FORMULA>
C24H38O5

> <MASS>
406.27

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C24 bile acids, alcohols, and derivatives [ST0401]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3,7-Dihydroxy-12-oxocholanoic acid; 12-KetoCDCA

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0000400

> <YMDB_ID>
-

> <CHEBI_ID>
16312

> <CAYMAN_ID>
30838

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
94235

> <LIPIDBANK_ID>
BBA0176

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST04010176

$$$$