LMST01010324
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0  0  0  0  0  0  0  0999 V2000
    7.0756    7.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3340    6.9592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3340    6.1033    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0756    5.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2992    6.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5578    7.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8168    6.9592    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5578    8.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2992    8.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0403    8.2429    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0403    7.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5228    7.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5228    8.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7815    8.6709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0403    8.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8168    7.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7815    9.3557    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0846    9.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3745    9.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5604    9.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3264    9.0453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.6956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2992    6.9592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1532    8.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1532    9.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8945    9.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9675    9.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9675    8.5972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8168    6.1033    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5578    5.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8168    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7815   10.2115    0.0000 H   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
 29  4  1  0  0  0  0
 29 30  1  0  0  0  0
 30  5  1  0  0  0  0
 23  5  1  0  0  0  0
  6 23  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  0  0  0  0
 14 17  1  0  0  0  0
 17 19  1  0  0  0  0
 19 27  1  0  0  0  0
 27 20  1  0  0  0  0
 20 25  1  0  0  0  0
  7  1  1  0  0  0  0
 29  7  1  0  0  0  0
  6  7  1  0  0  0  0
 11 23  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  1  0  0  0
  7 16  1  1  0  0  0
 17 18  1  0  0  0  0
 14 21  1  6  0  0  0
 17 32  1  1  0  0  0
  3 22  1  1  0  0  0
 25 24  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
 29 31  1  6  0  0  0
M  END
> <LM_ID>
LMST01010324

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3beta-hydroxy-5alpha-cholest-8(9),14(15)-dien-23-one

> <FORMULA>
C27H42O2

> <MASS>
398.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
23-oxo-5alpha-cholest-8(9),14(15)-dien-3beta-ol

> <INCHI_KEY>
KKBJXLLYTVWPBT-MZUBLSHPSA-N

> <INCHI>
InChI=1S/C27H42O2/c1-17(2)14-21(29)15-18(3)23-8-9-24-22-7-6-19-16-20(28)10-12-26(19,4)25(22)11-13-27(23,24)5/h9,17-20,23,28H,6-8,10-16H2,1-5H3/t18-,19+,20+,23-,26+,27-/m1/s1

> <SMILES>
C1[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC(=O)CC(C)C)CC=C4C=3CC[C@@]2([H])C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:3;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931336

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
72721

> <CITATION>
-

$$$$