LMST01040170
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0  0  0  0  0  0  0  0999 V2000
    6.8820    7.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1080    6.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1080    5.8937    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8820    5.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4298    5.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2039    5.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2039    6.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4298    7.2343    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6558    6.7873    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4298    8.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2039    8.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9779    8.1279    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9779    7.2343    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5260    7.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5260    8.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7520    8.5747    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9779    8.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6558    7.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7520    9.2898    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0241    9.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3711    9.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9902    9.2898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2285    9.2898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2285    8.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2532    8.8642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7520   10.0520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4129    6.4825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9779    6.5408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6143   10.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0720   10.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6094    9.6471    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.6217    9.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8478    9.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8478   10.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6558    5.8937    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6558    5.0000    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
  4 36  1  0  0  0  0
 36  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  2  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
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 15  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 32  1  0  0  0  0
 32 23  1  0  0  0  0
 23 34  1  0  0  0  0
 23 24  2  0  0  0  0
  9  1  1  0  0  0  0
 36  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  0  0  0  0
 16 25  1  6  0  0  0
 19 26  1  1  0  0  0
  3 27  1  1  0  0  0
  8 28  1  6  0  0  0
 13 29  1  6  0  0  0
 32 30  1  1  0  0  0
 30 31  1  0  0  0  0
 34 33  1  0  0  0  0
 34 35  1  0  0  0  0
 36 37  1  6  0  0  0
M  END
> <LM_ID>
LMST01040170

> <COMMON_NAME>
Sutinasterol

> <SYSTEMATIC_NAME>
26,26-dimethyl-5alpha-stigmasta-7,25(27)-dien-3beta-ol

> <FORMULA>
C31H52O

> <MASS>
440.40

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
24R-ethyl-26,26-dimethyl-3beta-hydroxycholesta-7,25(27)-diene 

> <INCHI_KEY>
ALRMQDKADQHRGT-BARFHZGGSA-N

> <INCHI>
InChI=1S/C31H52O/c1-8-23(22(5)20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(32)15-17-30(24,6)29(26)16-18-31(27,28)7/h12,20-21,23-25,27-29,32H,5,8-11,13-19H2,1-4,6-7H3/t21-,23-,24+,25+,27-,28+,29+,30+,31-/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(C)C)CC[C@@]4([H])C3=CC[C@@]2([H])C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 31:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5492463

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2627677

> <CITATION>
-

$$$$