LMST01040169
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
    6.8902    6.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1115    6.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1115    5.4497    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8902    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6689    5.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4476    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2265    6.3489    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4476    6.7986    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6689    6.3489    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4476    7.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2265    8.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0054    7.6978    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0054    6.7986    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5630    6.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5630    7.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7842    8.1474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0054    8.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6689    6.9786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7842    8.8669    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0518    9.0629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4071    9.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0301    8.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2760    8.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8992    9.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2760    8.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2885    8.4386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7842    9.6339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.1281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2265    7.1133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4306    6.0422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0054    6.1008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6580    9.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1867   10.3822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6531    9.2264    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2265    5.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0053    5.0001    0.0000 O   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 35  1  0  0  0  0
 35  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
 10 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 19  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 34  1  0  0  0  0
 34 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
  1  9  1  0  0  0  0
  5  9  1  0  0  0  0
  8  9  1  0  0  0  0
  7 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  1  0  0  0
  9 18  1  1  0  0  0
 19 20  1  6  0  0  0
 16 26  1  6  0  0  0
 19 27  1  1  0  0  0
  3 28  1  1  0  0  0
  7 29  1  1  0  0  0
  8 30  1  6  0  0  0
 13 31  1  6  0  0  0
 34 32  1  1  0  0  0
 32 33  1  0  0  0  0
 35 36  2  0  0  0  0
M  END
> <LM_ID>
LMST01040169

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3beta-hydroxy-stigmast-5-en-7-one

> <FORMULA>
C29H48O2

> <MASS>
428.37

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Stigmasterols and C24-ethyl derivatives [ST0104]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ICFXJOAKQGDRCT-ZIHMWMKCSA-N

> <INCHI>
InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
177122

> <ABBREVIATION>
ST 29:2;O2

> <CAYMAN_ID>
37189

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
160608

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
87147

> <CITATION>
-

$$$$