LMST01040176
  LIPID_MAPS_STRUCTURE_DATABASE

 34 38  0  0  0  0  0  0  0  0999 V2000
    7.0699    7.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3311    6.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3311    5.8526    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0699    5.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2851    5.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5465    7.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8083    6.7052    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5465    7.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2851    8.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0234    7.9842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0234    7.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5004    7.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5004    7.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619    8.4106    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0234    8.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8083    7.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619    9.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0675    9.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3047    8.7835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.4464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2851    6.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1247    8.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1247    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8632    9.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9434    9.0927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8083    5.8526    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5465    5.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8083    5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619    9.9453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5341    9.4338    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5341   10.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2725   10.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3526    9.4338    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.0910    9.8600    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
 26  4  1  0  0  0  0
 26 27  1  0  0  0  0
 27  5  1  0  0  0  0
 21  5  1  0  0  0  0
  6 21  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 33  1  0  0  0  0
 33 25  1  0  0  0  0
 25 30  1  0  0  0  0
 30 23  1  0  0  0  0
  7  1  1  0  0  0  0
 26  7  1  0  0  0  0
  6  7  1  0  0  0  0
 11 21  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 19  1  6  0  0  0
 17 29  1  1  0  0  0
  3 20  1  1  0  0  0
 23 22  1  0  0  0  0
 23 24  1  0  0  0  0
 26 28  1  6  0  0  0
 30 31  1  1  0  0  0
 31 32  1  0  0  0  0
 33 34  1  6  0  0  0
 25 34  1  6  0  0  0
M  END
> <LM_ID>
LMST01040176

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
22S,23S-epoxy-5alpha-stigmast-8(9),14(15)-dien-3beta-ol

> <FORMULA>
C29H46O2

> <MASS>
426.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
22S,23S-epoxy-24S-ethyl-5alpha-cholest-8(9),14(15)-dien-3beta-ol

> <INCHI_KEY>
ULVZCMSGIXIBOI-UPYGVIMRSA-N

> <INCHI>
InChI=1S/C29H46O2/c1-7-21(17(2)3)27-26(31-27)18(4)23-10-11-24-22-9-8-19-16-20(30)12-14-28(19,5)25(22)13-15-29(23,24)6/h11,17-21,23,26-27,30H,7-10,12-16H2,1-6H3/t18-,19-,20-,21-,23+,26-,27-,28-,29+/m0/s1

> <SMILES>
C1[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@]([H])(C)[C@@H]5O[C@H]5[C@@H](CC)C(C)C)CC=C4C=3CC[C@@]2([H])C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 29:3;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931392

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
72721

> <CITATION>
-

$$$$