LMST01010246
  LIPID_MAPS_STRUCTURE_DATABASE

 39 42  0  0  0  0  0  0  0  0999 V2000
    9.0502    7.6675    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0456    9.2954    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3410    8.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3481    8.0710    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7580    8.8927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7551    8.0783    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1646    8.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1675    8.8878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4641    9.2999    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7322    9.7597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4554   10.0916    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6476    7.6675    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6476    6.8578    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3481    6.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0502    6.8578    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9516    8.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2556    7.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2556    6.8639    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9516    6.4621    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6476    8.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1566   10.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7541   10.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8579   10.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5591   10.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2604   10.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4554   10.9013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1643    9.7063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2604    9.2819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9615   10.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.4591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6476    6.0481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3481    7.2613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7551    7.2686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0502    8.4773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7509    6.4523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0402   10.1050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9516    5.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6528    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2504    5.2475    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
  5 10  1  1  0  0  0
  9 11  1  0  0  0  0
  4 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  1  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 13  1  0  0  0  0
 12 20  1  1  0  0  0
 11 21  1  0  0  0  0
 11 22  1  6  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 11 26  1  1  0  0  0
  9 27  1  6  0  0  0
 25 28  1  0  0  0  0
 25 29  1  0  0  0  0
 18 30  1  6  0  0  0
 13 31  1  6  0  0  0
  4 32  1  6  0  0  0
  6 33  1  6  0  0  0
  1 34  1  1  0  0  0
 15 35  1  6  0  0  0
  2 36  1  6  0  0  0
 19 37  1  1  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
M  END
> <LM_ID>
LMST01010246

> <COMMON_NAME>
Trihydroxycoprostanoic acid

> <SYSTEMATIC_NAME>
4beta-carboxy-5alpha-cholestane-3alpha,7alpha,12alpha-triol 

> <FORMULA>
C28H48O5

> <MASS>
464.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VWKIOWRUMFPYLP-WKOPZGHNSA-N

> <INCHI>
InChI=1S/C28H48O5/c1-15(2)7-6-8-16(3)17-9-10-18-24-20(14-23(31)28(17,18)5)27(4)12-11-21(29)25(26(32)33)19(27)13-22(24)30/h15-25,29-31H,6-14H2,1-5H3,(H,32,33)/t16-,17-,18+,19+,20+,21-,22-,23+,24+,25-,27+,28-/m1/s1

> <SMILES>
[C@@]12([H])[C@H](O)C[C@@]3([H])[C@@H](C(=O)O)[C@H](O)CC[C@]3(C)[C@@]1([H])C[C@H](O)[C@]1(C)[C@@]([H])([C@]([H])(C)CCCC(C)C)CC[C@@]21[H]

> <KEGG_ID>
-

> <HMDB_ID>
HMDB02163

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:1;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44263325

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$