LMST01010254
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0     0  0            999 V2000
    8.4646    8.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5986    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5986    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4646    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0627    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0627    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0627    9.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1966    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3307    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3307    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9287    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9287   10.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1966    8.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1966    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9287    8.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3307    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1966    7.0606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7750    9.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6410    9.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6410    8.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7750   10.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6410   11.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9090   11.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5071   10.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3731   11.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2391   10.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1051   11.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2391    9.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7409    9.8088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 17  2  0  0  0  0
 14 10  1  0  0  0  0
 10 17  1  0  0  0  0
 15  5  2  0  0  0  0
  6 16  2  0  0  0  0
 14  6  1  0  0  0  0
  8 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
 12 16  1  0  0  0  0
  3  9  1  1  0  0  0
 10 11  1  1  0  0  0
 12 13  1  1  0  0  0
 17 15  1  0  0  0  0
  5  6  1  0  0  0  0
 14 18  1  6     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 19 22  1  0     0  0
 22 23  1  0     0  0
 22 24  1  6     0  0
 23 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 27 29  1  0     0  0
 19 30  1  6     0  0
 16 21  1  0     0  0
 12 19  1  0     0  0
M  END
> <LM_ID>
LMST01010254

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
cholesta-4,6,8(14)-trien-3beta-ol

> <FORMULA>
C27H42O

> <MASS>
382.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IRWHGBOEXIKZOS-RQZUOROGSA-N

> <INCHI>
InChI=1S/C27H42O/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/h9-10,17-19,21,23,25,28H,6-8,11-16H2,1-5H3/t19-,21+,23-,25+,26+,27-/m1/s1

> <SMILES>
C1[C@@]2(C)C(C=CC3[C@]2([H])CC[C@@]2([C@@]([H])([C@H](C)CCCC(C)C)CCC=32)C)=C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:3;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101497651

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
20121089

$$$$