LMST04010329
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0  0  0  0  0  0  0  0999 V2000
    6.8785    7.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1066    6.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1066    5.8397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8785    5.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6505    5.8397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4224    5.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1945    5.8397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1945    6.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4224    7.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6505    6.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4224    8.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1945    8.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9663    8.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9663    7.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5103    7.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5103    8.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7384    8.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9663    8.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6505    7.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7384    9.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0125    9.4214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3560    9.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9735    9.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5911    9.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6505    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5911   10.2037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2085    9.2270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4056    6.4271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2383    8.8025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7384    9.9873    0.0000 H   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  2  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  2  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
  5 26  1  1  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
  9 29  1  6  0  0  0
 17 30  1  6  0  0  0
 20 31  1  1  0  0  0
M  END
> <LM_ID>
LMST04010329

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3alpha-Hydroxy-5beta-chola-8(14),11-dien-24-oic Acid

> <FORMULA>
C24H36O3

> <MASS>
372.27

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C24 bile acids, alcohols, and derivatives [ST0401]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YBJJCKIGXYAVGR-XRFOOGGDSA-N

> <INCHI>
InChI=1S/C24H36O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h11,13,15-17,19,21,25H,4-10,12,14H2,1-3H3,(H,26,27)/t15-,16-,17-,19-,21+,23+,24-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])C=C[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(O)=O)CCC4=C3CC[C@]2([H])C[C@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186610

> <ABBREVIATION>
ST 24:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284076

> <LIPIDBANK_ID>
BBA0613

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$