LMST04030199
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0  0  0  0  0  0  0  0999 V2000
    6.8920    7.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1122    6.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1122    5.8458    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8920    5.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6718    5.8458    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4515    5.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2315    5.8458    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2315    6.7461    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4515    7.1964    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6718    6.7461    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4515    8.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2315    8.5471    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0112    8.0968    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0112    7.1964    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5708    7.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5708    8.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7910    8.5471    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0112    8.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6718    7.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7910    9.2674    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0578    9.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4149    9.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0387    9.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6626    9.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2862    9.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2960    8.8386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7910   10.0356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8160    5.4232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2315    9.2205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6718    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7299    9.1509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2315    7.5116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4345    6.4392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0112    6.4976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9103    9.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9103   10.3915    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  2  0  0  0  0
 24 25  1  0  0  0  0
 25 36  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
 17 26  1  6  0  0  0
 20 27  1  1  0  0  0
  3 28  1  6  0  0  0
  7 29  1  6  0  0  0
 12 30  1  6  0  0  0
  5 31  1  1  0  0  0
 36 32  1  0  0  0  0
  8 33  1  1  0  0  0
  9 34  1  6  0  0  0
 14 35  1  6  0  0  0
 36 37  2  0  0  0  0
M  END
> <LM_ID>
LMST04030199

> <COMMON_NAME>
3alpha,7alpha,12alpha-Trihydroxy-5beta-23E-cholestan-26-oic acid

> <SYSTEMATIC_NAME>
3alpha,7alpha,12alpha-Trihydroxy-5beta-23E-cholestan-26-oic acid

> <FORMULA>
C26H42O5

> <MASS>
434.30

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QOSXDERODNPQLN-WAYHEFBISA-N

> <INCHI>
InChI=1S/C26H42O5/c1-15(6-4-5-7-23(30)31)18-8-9-19-24-20(14-22(29)26(18,19)3)25(2)11-10-17(27)12-16(25)13-21(24)28/h4-5,15-22,24,27-29H,6-14H2,1-3H3,(H,30,31)/b5-4+/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@]([H])([C@]([H])(C)C/C=C/CC(=O)O)CC[C@@]4([H])[C@]3([H])[C@H](O)C[C@]2([H])C[C@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
173178

> <ABBREVIATION>
ST 26:2;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931535

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$