LMST05040012
  LIPID_MAPS_STRUCTURE_DATABASE

 41 44  0     0  0            999 V2000
   11.0020    8.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9966   10.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1345   10.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1432    9.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8678   10.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8643    9.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5883    9.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5918   10.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7316   10.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9992    9.8041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8363   11.3865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7208   11.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5786   12.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7329   12.7692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4188   11.7904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2624   12.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1025   11.7846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9460   12.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8632    8.3621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2865    8.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2865    7.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1432    7.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0020    7.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4352    9.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5839    8.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5839    7.8445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4352    7.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2865    9.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325    7.3531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5811   11.2002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9620   12.2698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1432    8.3380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2865    6.8540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2658   13.2565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7955   11.7730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8534    7.3455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6469   12.2646    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.9518   12.9597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4983   12.7562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3421   11.5694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1432    6.3605    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
 16 34  2  0  0  0  0
 18 35  1  0  0  0  0
 23 36  1  1  0  0  0
 35 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 37 40  2  0  0  0  0
 22 41  1  1  0  0  0
M  END
> <LM_ID>
LMST05040012

> <COMMON_NAME>
Tauro-beta-muricholic acid

> <SYSTEMATIC_NAME>
N-(3alpha,6beta,7beta-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>
Tauro-beta-muricholate; T-beta-MCA

> <KEGG_ID>
-

> <HMDB_ID>
HMDB00932

> <YMDB_ID>
-

> <CHEBI_ID>
133057

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21124703

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST05040012

$$$$