LMST04030238
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
   10.9861    7.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9806    9.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1218    9.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1306    8.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8486    9.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8451    8.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5627    8.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5662    9.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7091    9.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9833    8.8119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8172   10.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6984   10.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5530   11.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7104   11.7658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3899   10.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2304   11.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0674   10.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9078   11.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8440    7.3753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0674    9.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2770    7.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2770    6.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1306    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9861    6.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4289    8.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5807    7.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5807    6.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4289    6.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2770    8.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.3701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5554   10.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9424   11.2682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1306    7.3513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2742    5.8522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1301    5.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7720   10.7630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9114   12.2661    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  6  0  0  0
  6 19  1  6  0  0  0
 17 20  1  0  0  0  0
  4 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24  1  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 22  1  0  0  0  0
 21 29  1  1  0  0  0
 27 30  1  1  0  0  0
  9 31  1  6  0  0  0
 12 32  1  6  0  0  0
  4 33  1  6  0  0  0
 22 34  1  6     0  0
 23 35  1  1     0  0
 18 36  1  0     0  0
 18 37  2  0     0  0
M  END
> <LM_ID>
LMST04030238

> <COMMON_NAME>
3beta,5alpha,6beta-Trihydroxycholestan-(25R)26-oic acid

> <SYSTEMATIC_NAME>
3beta,5alpha,6beta-Trihydroxycholestan-(25R)26-oic acid

> <FORMULA>
C27H46O5

> <MASS>
450.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C27 bile acids, alcohols, and derivatives [ST0403]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119010

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST04030238

$$$$