LMST01010352
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
    9.0635    6.4671    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0589    8.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3502    7.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3577    6.8727    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7751    7.6987    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7719    6.8801    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1892    6.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1920    7.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4850    8.1081    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0609    7.2698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7492    8.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4759    8.9042    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1809    9.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4861    9.7067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8714    8.9023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5651    9.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2556    8.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9488    9.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7710    6.0846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2556    8.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6535    6.4671    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3577    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0635    5.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9535    6.8711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2541    6.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2541    5.6592    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9535    5.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6535    7.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.2553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1832    8.4172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8525    9.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3577    6.0648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6535    5.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  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
  4  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  1 10  1  1  0  0  0
  5 11  1  1  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  6 19  1  6  0  0  0
 17 20  1  0  0  0  0
 21  4  1  0  0  0  0
 33 21  1  0  0  0  0
 33 22  1  0  0  0  0
 22 23  1  0  0  0  0
  1 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 33 27  2  0  0  0  0
 21 28  1  1  0  0  0
 26 29  1  1  0  0  0
  9 30  1  6  0  0  0
 12 31  1  6  0  0  0
  4 32  1  6  0  0  0
M  END
> <LM_ID>
LMST01010352

> <COMMON_NAME>
4-cholestenol

> <SYSTEMATIC_NAME>
Cholest-4-en-3beta-ol

> <FORMULA>
C27H46O

> <MASS>
386.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
4-cholesten-3beta-ol

> <INCHI_KEY>
UIMGHSAOLFTOBF-DPAQBDIFSA-N

> <INCHI>
InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,21-25,28H,6-16H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1

> <SMILES>
[C@]12(CCC3=C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCCC(C)C)CC[C@@]21[H])[H]

> <KEGG_ID>
C15337

> <HMDB_ID>
-

> <CHEBI_ID>
79839

> <ABBREVIATION>
ST 27:1;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11452005

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$