LMST04010168
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
    6.5329    7.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7518    6.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7518    5.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5329    5.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3141    5.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0952    5.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8765    5.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8765    6.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0952    7.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3141    6.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0952    8.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8765    8.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6575    8.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6575    7.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2199    7.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2199    8.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4387    8.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6575    8.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3141    7.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4387    9.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7042    9.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0636    9.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6885    9.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3134    9.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8765    9.2273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.5242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3141    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3134   10.2627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9382    9.2743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8765    7.5155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0782    6.4411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6575    6.4998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9446    8.8448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4387   10.0437    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
 12 25  1  6  0  0  0
  3 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>
LMST04010168

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
12alpha-Hydroxy-3-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>


> <KEGG_ID>
-

> <HMDB_ID>
HMDB0062742

> <YMDB_ID>
-

> <CHEBI_ID>
88104

> <CAYMAN_ID>
35227

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
SLM:000501378

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
160738

> <LIPIDBANK_ID>
BBA0168

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST04010168

$$$$