LMST01010311
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
   10.7144    7.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8178    9.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8267    8.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6094    9.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6058    8.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3879    8.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3916    9.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5022    9.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7144    8.4510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6094   10.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4912   10.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4912   11.4364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6058    7.3442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9412    7.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9412    6.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8267    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7144    6.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0612    8.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1812    7.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0612    6.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9412    8.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1350   10.0235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7067   11.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8267    7.3070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1812    6.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7088    9.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7088   10.6764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3779   11.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2644   10.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1509   12.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1509   11.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0375   10.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    6.0665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  4 26  1  0  0  0  0
 26  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  1  0  0  0  0
  5  6  1  0  0  0  0
  1  9  1  1  0  0  0
  4 10  1  1  0  0  0
  8 11  1  0  0  0  0
 11 28  1  0  0  0  0
 11 12  1  1  0  0  0
  5 13  1  6  0  0  0
  3 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  1  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 25  1  0  0  0  0
 25 20  1  0  0  0  0
 20 15  2  0  0  0  0
 14 21  1  1  0  0  0
  8 22  1  6  0  0  0
 11 23  1  6  0  0  0
  3 24  1  6  0  0  0
 25 33  2  0  0  0  0
 26 27  1  1  0  0  0
 28 29  2  0  0  0  0
 29 31  1  0  0  0  0
 31 30  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
> <LM_ID>
LMST01010311

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
12beta-hydroxy-24-norcholesta-1,4,22E-trien-3-one

> <FORMULA>
C26H38O2

> <MASS>
382.29

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XMEFQALTQIECQX-YIEBSULKSA-N

> <INCHI>
InChI=1S/C26H38O2/c1-16(2)6-7-17(3)21-10-11-22-20-9-8-18-14-19(27)12-13-25(18,4)23(20)15-24(28)26(21,22)5/h6-7,12-14,16-17,20-24,28H,8-11,15H2,1-5H3/b7-6+/t17-,20+,21-,22+,23+,24-,25+,26-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187101

> <ABBREVIATION>
ST 26:4;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931328

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
767273

> <CITATION>
-

$$$$