LMST04010308
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    6.9020    7.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1164    6.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1164    5.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020    5.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6877    5.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4734    5.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2591    5.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2591    6.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4734    7.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6877    6.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4734    8.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2591    8.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0447    8.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0447    7.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6161    7.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6161    8.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8304    8.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0447    8.8214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6877    7.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8304    9.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0916    9.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4589    9.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0875    9.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7160    9.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8481    5.4244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2591    9.2503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6877    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3444    9.2976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2591    7.5286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4562    6.4480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0447    6.5071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3392    8.8656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8304   10.0715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7160   10.2134    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  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
  7 26  1  6  0  0  0
 12 27  1  6  0  0  0
  5 28  1  6  0  0  0
 24 29  1  0  0  0  0
  8 30  1  1  0  0  0
  9 31  1  6  0  0  0
 14 32  1  6  0  0  0
 17 33  1  6  0  0  0
 20 34  1  1  0  0  0
 24 35  2  0  0  0  0
M  END
> <LM_ID>
LMST04010308

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3alpha,7alpha,12alpha-Trihydroxy-5alpha-cholan-24-al

> <FORMULA>
C24H40O4

> <MASS>
392.29

> <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>
ZYUGWIRQWCNRJP-JLIFGLSWSA-N

> <INCHI>
InChI=1S/C24H40O4/c1-14(5-4-10-25)17-6-7-18-22-19(13-21(28)24(17,18)3)23(2)9-8-16(26)11-15(23)12-20(22)27/h10,14-22,26-28H,4-9,11-13H2,1-3H3/t14-,15-,16-,17-,18+,19+,20-,21+,22+,23+,24-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(=O)[H])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>
187937

> <ABBREVIATION>
ST 24:1;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284058

> <LIPIDBANK_ID>
BBA0484

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$