LMST05040014
  LIPID_MAPS_STRUCTURE_DATABASE

 41 44  0     0  0            999 V2000
   11.0021    8.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9966   10.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1346    9.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1433    8.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8679    9.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8644    8.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5884    8.8304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5919    9.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7316   10.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9993    9.3107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8363   10.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7209   11.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5786   11.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7329   12.2758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4187   11.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2623   11.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1026   11.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9461   11.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8633    7.8686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2866    8.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2866    7.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1433    6.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0021    7.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4353    8.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5839    8.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5839    7.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4353    6.8597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2866    9.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.8597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5811   10.7067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9621   11.7763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1433    7.8446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2866    6.3606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9966   11.3084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2659   12.7629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7957   11.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8535    6.8521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6471   11.7712    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.9518   12.4662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4984   12.2627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3421   11.0760    0.0000 O   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
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  6 19  1  6  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  1  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 21  1  0  0  0  0
 20 28  1  1  0  0  0
 26 29  1  6  0  0  0
  9 30  1  6  0  0  0
 12 31  1  6  0  0  0
  4 32  1  6  0  0  0
 21 33  1  1  0  0  0
  2 34  1  6  0  0  0
 16 35  2  0  0  0  0
 18 36  1  0  0  0  0
 23 37  1  1  0  0  0
 36 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 38 41  2  0  0  0  0
M  END
> <LM_ID>
LMST05040014

> <COMMON_NAME>
Tauroursocholic acid

> <SYSTEMATIC_NAME>
N-(3alpha,7beta,12alpha-trihydroxy-5beta-cholan-24-oyl)-taurine

> <FORMULA>
C26H45NO7S

> <MASS>
515.29

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroid conjugates [ST05]

> <SUB_CLASS>
Taurine conjugates [ST0504]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Tauroursocholate

> <KEGG_ID>
-

> <HMDB_ID>
HMDB00889

> <YMDB_ID>
-

> <CHEBI_ID>
145227

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44263378

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST05040014

$$$$