LMST04060020
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
    8.2569    8.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3229    8.0820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3229    7.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2569    6.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1908    7.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1249    6.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0591    7.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0591    8.0820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1249    8.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1908    8.0820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1249    9.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0591   10.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9929    9.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9929    8.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8611    8.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8611    9.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9271   10.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9929   10.5358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1908    8.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9271   11.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0488   11.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6743   11.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4214   11.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6547    6.6178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0591   11.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1908    6.2870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0591    8.9989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1045    7.7143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9929    7.7846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5318   10.5884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9271   12.0220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2774   11.5962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4214   10.1136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 20  1  0     0  0
 20 22  1  0     0  0
 22 23  1  0     0  0
  1 10  1  0     0  0
  5 10  1  0     0  0
  9 10  1  0     0  0
  8 14  1  0     0  0
 13 17  1  0     0  0
 13 18  1  1     0  0
 10 19  1  1     0  0
 20 21  1  6     0  0
  3 24  1  6     0  0
 12 25  1  6     0  0
  5 26  1  1     0  0
  8 27  1  1     0  0
  9 28  1  6     0  0
 14 29  1  6     0  0
 17 30  1  6     0  0
 20 31  1  1     0  0
 23 32  1  0     0  0
 23 33  2  0     0  0
M  END
> <LM_ID>
LMST04060020

> <COMMON_NAME>
Nordeoxycholic acid

> <SYSTEMATIC_NAME>
24-nor-3alpha,12alpha-dihydroxy-5beta-cholan-23-oic acid

> <FORMULA>
C23H38O4

> <MASS>
378.28

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C23 bile acids, alcohols, and derivatives [ST0406]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
23-norDCA; 23-Nordeoxycholic acid; 23-NDCA

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
139132

> <CAYMAN_ID>
30837

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
193905

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/index.php/databases/lmsd/LMST04060020

$$$$