LMST04010206
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0  0  0  0  0  0  0  0999 V2000
    6.8813    7.1808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1077    6.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1077    5.8409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8813    5.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6549    5.8409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4284    5.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2021    5.8409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2021    6.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4284    7.1808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6549    6.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4284    8.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2021    8.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9755    8.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9755    7.1808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5227    7.1808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5227    8.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7492    8.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9755    8.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6549    7.3595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7492    9.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0217    9.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3680    9.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9869    9.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6057    9.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6549    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6057   10.2141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2244    9.2352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9755    6.4877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2501    8.8099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7492    9.9972    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  2  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
  5 26  1  1  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
 14 29  1  6  0  0  0
 17 30  1  6  0  0  0
 20 31  1  1  0  0  0
M  END
> <LM_ID>
LMST04010206

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3alpha-Hydroxy-5beta-chol-8-en-24-oic Acid

> <FORMULA>
C24H38O3

> <MASS>
374.28

> <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>
JBGPYYPQEKGCOJ-GCIZHPIPSA-N

> <INCHI>
InChI=1S/C24H38O3/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/h15-17,19-20,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,19-,20+,23+,24-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 24:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283969

> <LIPIDBANK_ID>
BBA0206

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$