LMST04010150
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
    8.3542    8.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4089    8.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4089    7.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3542    6.5399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2995    7.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2449    6.5399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1903    7.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1903    8.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2449    8.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2995    8.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2449    9.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1903   10.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1355    9.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1355    8.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0263    8.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0263    9.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0810   10.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1355   10.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2995    8.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0810   11.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1920   11.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8373   11.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5936   11.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3498   11.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.6955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8990    6.5735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2995    6.3606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3498   12.4301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1059   11.2339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1903    9.1053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2242    7.8051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1355    7.8762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6932   10.7141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0810   12.1651    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  2  0  0  0  0
  5 27  1  1  0  0  0
 24 28  2  0  0  0  0
 24 29  1  0  0  0  0
  8 30  1  1  0  0  0
  9 31  1  6  0  0  0
 14 32  1  6  0  0  0
 17 33  1  6  0  0  0
 20 34  1  1  0  0  0
M  END
> <LM_ID>
LMST04010150

> <COMMON_NAME>
7-oxolithocholic acid

> <SYSTEMATIC_NAME>
3alpha-Hydroxy-7-oxo-5beta-cholan-24-oic Acid

> <FORMULA>
C24H38O4

> <MASS>
390.28

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
7-Ketolithocholic acid; 7-ketoLCA

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
82679

> <CAYMAN_ID>
29546

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
SLM:000485391

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
444262

> <LIPIDBANK_ID>
BBA0150

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST04010150

$$$$