LMST04010146
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
    8.3617    9.2616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4120    8.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4120    7.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3617    7.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3114    7.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2611    7.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2109    7.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2109    8.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2611    9.2616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3114    8.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2611   10.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2109   10.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1605   10.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1605    9.2616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0600    9.2616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0600   10.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1103   10.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1605   11.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3114    9.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1103   11.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2172   12.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8701   12.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6300   11.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3897   12.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.2245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2611    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3114    6.8880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3897   12.9856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1494   11.7839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2109    9.6455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2404    8.3393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1605    8.4107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7254   11.2616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1103   12.7194    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
  6 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>
LMST04010146

> <COMMON_NAME>
6-Ketolithocholic acid

> <SYSTEMATIC_NAME>
3alpha-Hydroxy-6-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>
beta-Cholanic Acid-3alpha-ol-6-one; 6-KLCA; 6-keto LCA; 6-oxo LCA; 6-oxolithocholic acid

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
139133

> <CAYMAN_ID>
35373

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
164960

> <LIPIDBANK_ID>
BBA0146

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST04010146

$$$$