LMST04010101
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    6.9027    7.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167    6.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167    5.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9027    5.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6887    5.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4747    5.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2608    5.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2608    6.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4747    7.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6887    6.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4747    8.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2608    8.5734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0467    8.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0467    7.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6188    7.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6188    8.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8328    8.5734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0467    8.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6887    7.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8328    9.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0937    9.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4616    9.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0904    9.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7193    9.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8500    5.4245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4616   10.2486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6887    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7193   10.2940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3480    9.2994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2608    7.5296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4575    6.4486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0467    6.5076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3418    8.8672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8328   10.0737    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
 22 27  1  1  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>
LMST04010101

> <COMMON_NAME>
Haemulcholic acid

> <SYSTEMATIC_NAME>
(22S)-3alpha,7alpha,22-Trihydroxy-5beta-cholan-24-oic Acid

> <FORMULA>
C24H40O5

> <MASS>
408.29

> <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>
C17668

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
81262

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283882

> <LIPIDBANK_ID>
BBA0101

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST04010101

$$$$