LMST01110009
  LIPID_MAPS_STRUCTURE_DATABASE

 35 39  0  0  0  0  0  0  0  0999 V2000
    6.8674    7.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1020    6.5734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1020    5.6895    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8674    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6328    5.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3983    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1639    5.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1639    6.5734    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3983    7.0154    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6328    6.5734    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3983    7.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1639    8.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9295    7.8993    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9295    7.0154    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4605    7.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4605    7.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6950    8.3412    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9295    8.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6328    7.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6950    9.0484    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9751    9.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3073    9.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1444    9.0484    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1971    9.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8809    9.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1908    8.6275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6950    9.8022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.3734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1639    7.3246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3816    6.2719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9295    6.3296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5321    9.4018    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9197    9.0484    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9197    8.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6852    7.7226    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 22  1  0  0  0  0
 22 33  1  0  0  0  0
 33 32  1  0  0  0  0
 32 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  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
 17 26  1  6  0  0  0
 20 27  1  1  0  0  0
  3 28  1  1  0  0  0
  8 29  1  1  0  0  0
  9 30  1  6  0  0  0
 14 31  1  6  0  0  0
 33 34  1  6  0  0  0
 34 35  1  0  0  0  0
 32 24  1  1  0  0  0
M  END
> <LM_ID>
LMST01110009

> <COMMON_NAME>
Hebesterol

> <SYSTEMATIC_NAME>
(25S)-23R-ethyl-24S,26-cyclo-cholest-5-en-3beta-ol

> <FORMULA>
C29H48O

> <MASS>
412.37

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Calysterols and cyclopropyl sidechain derivatives [ST0111]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(23R,24S,25S)-23-ethyl-24,26-cyclo-cholest-5-en-3beta-ol

> <INCHI_KEY>
AAJHVCTWRPOTGA-SIGAZLDMSA-N

> <INCHI>
InChI=1S/C29H48O/c1-6-20(24-16-18(24)2)15-19(3)25-9-10-26-23-8-7-21-17-22(30)11-13-28(21,4)27(23)12-14-29(25,26)5/h7,18-20,22-27,30H,6,8-17H2,1-5H3/t18-,19+,20+,22-,23-,24-,25+,26-,27-,28-,29+/m0/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)C[C@@H](CC)[C@H]5C[C@@H]5C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 29:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13847203

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
68563

> <CITATION>
-

$$$$