LMST04010001
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
   10.9930    8.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9875   10.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1464    9.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1360    8.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8569    9.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8534    8.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5737    8.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5771    9.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7187   10.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9902    9.3044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8254   10.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7221   11.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5640   11.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7200   12.2631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4023   11.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2442   11.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8523    7.8656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2811    8.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2811    7.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1360    6.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9930    7.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4315    8.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5821    8.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5821    7.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4315    6.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2811    9.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.8586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8424    6.8510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9875   11.2977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2442   12.7492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0936   11.2778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2811    6.3606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5222   10.7209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0026   11.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1360    7.7997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  5  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  1 10  1  1  0  0  0
  5 11  1  1  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
  6 17  1  6  0  0  0
  4 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21  1  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 19  1  0  0  0  0
 18 26  1  1  0  0  0
 24 27  1  6  0  0  0
 21 28  1  6  0  0  0
  2 29  1  6  0  0  0
 16 30  2  0  0  0  0
 16 31  1  0  0  0  0
 19 32  1  1  0  0  0
  9 33  1  6  0  0  0
 12 34  1  6  0  0  0
  4 35  1  6  0  0  0
M  END
> <LM_ID>
LMST04010001

> <COMMON_NAME>
Cholic acid

> <SYSTEMATIC_NAME>
3Alpha,7Alpha,12Alpha-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>
Cholic Acid; CA

> <KEGG_ID>
C00695

> <HMDB_ID>
HMDB0000505

> <YMDB_ID>
-

> <CHEBI_ID>
16359

> <CAYMAN_ID>
20250

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
SLM:000000859

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
221493

> <LIPIDBANK_ID>
BBA0084

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST04010001

$$$$