LMST01050020
  LIPID_MAPS_STRUCTURE_DATABASE

 36 40  0  0  0  0  0  0  0  0999 V2000
    6.8861    6.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1097    6.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1097    5.4483    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8861    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6623    5.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4386    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2151    5.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2151    6.3447    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4386    6.7930    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6623    6.3447    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4386    7.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2151    8.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9915    7.6894    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9915    6.7930    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5443    6.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5443    7.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7680    8.1376    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9915    8.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6623    6.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7680    8.8549    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0378    9.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3890    9.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0100    8.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2521    8.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8732    9.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2521    8.2493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2707    8.4280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7680    9.6195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.1277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2151    7.1067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4217    6.0390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9915    6.0974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6360    9.9513    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.0085   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6311    9.2133    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.4074    9.6615    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 23  1  0  0  0  0
 23 35  1  0  0  0  0
 35 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  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 27  1  6  0  0  0
 20 28  1  1  0  0  0
  3 29  1  1  0  0  0
  8 30  1  1  0  0  0
  9 31  1  6  0  0  0
 14 32  1  6  0  0  0
 35 33  1  0  0  0  0
 33 34  1  0  0  0  0
 35 36  1  6  0  0  0
 33 36  1  6  0  0  0
M  END
> <LM_ID>
LMST01050020

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
24S,28R-methylene-stigmast-5-en-3beta-ol

> <FORMULA>
C30H50O

> <MASS>
426.39

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
C24-propyl sterols and derivatives [ST0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SBYOCAVAULFQMS-NNTQYPLXSA-N

> <INCHI>
InChI=1S/C30H50O/c1-19(2)30(18-21(30)4)16-11-20(3)25-9-10-26-24-8-7-22-17-23(31)12-14-28(22,5)27(24)13-15-29(25,26)6/h7,19-21,23-27,31H,8-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-,30+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 30:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14213689

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
114181

> <CITATION>
-

$$$$