LMST01040188
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0  0  0  0  0  0  0  0999 V2000
    7.0153    7.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2370    6.7975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2370    5.8987    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0153    5.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5720    5.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3505    5.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3505    6.7975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5720    7.2469    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7937    6.7975    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5720    8.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3505    8.5952    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1287    8.1457    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1287    7.2469    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6856    7.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6856    8.1457    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9071    8.5952    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1287    8.8423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7937    7.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9071    9.3141    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1752    9.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5298    9.6736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1525    9.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3979    9.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0206    9.6736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3979    8.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3505    7.5616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1287    6.5495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4112    8.8861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9071   10.0808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5720    6.5643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3505    9.2778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3682    8.5398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7752    9.6736    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.7411   10.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4514   10.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7937    5.8987    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7937    5.0000    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 37  1  0  0  0  0
 37  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 10  1  0  0  0  0
 10 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 19  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 34  1  0  0  0  0
 34 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
  1  9  1  0  0  0  0
 37  9  1  0  0  0  0
  8  9  1  0  0  0  0
  7 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  1  0  0  0
  9 18  1  1  0  0  0
 19 20  1  6  0  0  0
  7 26  1  1  0  0  0
 13 27  1  6  0  0  0
 16 28  1  6  0  0  0
 19 29  1  1  0  0  0
  8 30  1  6  0  0  0
  3 31  1  6  0  0  0
 11 32  1  6  0  0  0
 15 33  1  6  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 37 38  1  6  0  0  0
M  END
> <LM_ID>
LMST01040188

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
24-ethyl-5alpha-cholest-25-en-3alpha,12alpha,16alpha-triol

> <FORMULA>
C29H50O3

> <MASS>
446.38

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Stigmasterols and C24-ethyl derivatives [ST0104]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FMNHMKJQPJAHCG-HMZQBNBCSA-N

> <INCHI>
InChI=1S/C29H50O3/c1-7-19(17(2)3)9-8-18(4)27-25(31)15-24-22-11-10-20-14-21(30)12-13-28(20,5)23(22)16-26(32)29(24,27)6/h18-27,30-32H,2,7-16H2,1,3-6H3/t18-,19?,20+,21-,22-,23+,24+,25-,26+,27+,28+,29-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187936

> <ABBREVIATION>
ST 29:1;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
25208133

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$