LMST01040173
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0  0  0  0  0  0  0  0999 V2000
    9.0687    6.2214    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0642    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3546    7.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3619    6.6276    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7815    7.4548    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7785    6.6350    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1978    6.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2005    7.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4925    7.8649    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0665    7.0254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7555    8.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4836    8.6620    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1897    9.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4934    9.4660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2672    8.6555    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7776    5.8384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2672    7.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6567    6.2214    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6567    5.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3619    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0687    5.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9559    6.6260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2552    6.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2552    5.4123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9559    5.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5544    5.0078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8590    9.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3619    5.8186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5756    9.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8812    8.6602    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.8812    7.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9615    9.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6663    8.6461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5756    9.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1511   10.4472    0.0000 C   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
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  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
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 13 32  1  0  0  0  0
 32 31  1  0  0  0  0
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 24 27  1  1  0  0  0
  9 28  1  6  0  0  0
 12 29  1  6  0  0  0
  4 30  1  6  0  0  0
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M  END
> <LM_ID>
LMST01040173

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
24-ethyl-23,26-dimethylcholest-5,24E(28)-dien-3beta-ol

> <FORMULA>
C31H52O

> <MASS>
440.40

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
23,26-dimethyl-24E-ethylidene-cholest-5-en-3beta-ol

> <INCHI_KEY>
GEAJSHOCGXNYRN-RWASWLNISA-N

> <INCHI>
InChI=1S/C31H52O/c1-8-20(3)25(9-2)21(4)18-22(5)27-12-13-28-26-11-10-23-19-24(32)14-16-30(23,6)29(26)15-17-31(27,28)7/h9-10,20-22,24,26-29,32H,8,11-19H2,1-7H3/b25-9+/t20?,21?,22-,24+,26+,27-,28+,29+,30+,31-/m1/s1

> <SMILES>
[C@]12(CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CC(C)/C(=C/C)/C(C)CC)CC[C@@]21[H])[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 31:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931391

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$