LMST04010473
  LIPID_MAPS_STRUCTURE_DATABASE

 41 44  0     0  0            999 V2000
    8.3835    9.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4289    8.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4289    7.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3835    7.0844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3382    7.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2929    7.0844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2477    7.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2477    8.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2929    9.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3382    8.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2929   10.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2477   10.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2022   10.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2022    9.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1115    9.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1115   10.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1570   10.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2022   11.2461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3382    9.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1570   11.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2593   12.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9207   12.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6845   11.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4481   12.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7460    7.2416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2929    6.3732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9633    7.1183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3382    6.9034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4481   13.0327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2117   11.8247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2477    9.6753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2720    8.3622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2022    8.4340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7751   11.2998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1570   12.7651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0795   12.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9471   11.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8150   12.3254    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.4322   11.6239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2139   13.1019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6827   12.8264    0.0000 O   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
  6 26  1  6  0  0  0
  7 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
 30 36  1  0     0  0
 36 37  1  0     0  0
 37 38  1  0     0  0
 38 39  2  0     0  0
 38 40  2  0     0  0
 38 41  1  0     0  0
M  END
> <LM_ID>
LMST04010473

> <COMMON_NAME>
Tauro-omega-muricholic acid

> <SYSTEMATIC_NAME>
N-(3alpha,6alpha,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>
TOMCA; T-omega-MCA

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
139137

> <CAYMAN_ID>
28842

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
118703092

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST04010473

$$$$