LMST01010282
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
    6.9713    6.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2165    6.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2165    5.4360    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9713    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7265    5.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4812    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2365    5.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2365    6.3076    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4812    6.7438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7265    6.3076    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4812    7.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2365    8.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9913    7.6155    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9913    6.7438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5014    6.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5014    7.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7463    8.0515    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9913    8.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7265    6.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7463    8.7489    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0364    8.9390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2365    7.0490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9913    6.0672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2352    8.3337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7463    9.4926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4812    6.0817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.0537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5582    9.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0682    9.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9543    8.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3132    8.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3132    7.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3503    9.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3503    9.9693    0.0000 C   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  2  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 33  1  0  0  0  0
 33 30  1  0  0  0  0
 30 28  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
  8 22  1  1  0  0  0
 14 23  1  6  0  0  0
 17 24  1  6  0  0  0
 20 25  1  1  0  0  0
  9 26  1  6  0  0  0
  3 27  1  1  0  0  0
 28 31  1  0  0  0  0
 31 29  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
> <LM_ID>
LMST01010282

> <COMMON_NAME>
22-methylenecholesterol

> <SYSTEMATIC_NAME>
23-methylene-cholest-5-en-3beta-ol

> <FORMULA>
C28H46O

> <MASS>
398.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AQZKOFZGLJSRLJ-PXBBAZSNSA-N

> <INCHI>
InChI=1S/C28H46O/c1-18(2)7-8-19(3)20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)C(=C)CCC(C)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
172971

> <ABBREVIATION>
ST 28:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21764104

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$