LMST01040266
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
   10.9368   -7.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9368   -8.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8026   -9.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6684   -8.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6684   -7.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8026   -7.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5342   -9.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4002   -8.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4002   -7.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5342   -7.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2659   -7.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2659   -6.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4002   -5.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5342   -6.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2166   -7.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8043   -6.9062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2166   -6.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6746   -6.9403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0738   -9.4038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5246   -5.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4368   -4.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8202   -4.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4002   -6.9062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5342   -8.4058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2659   -8.4058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6684   -9.9034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3009   -5.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1650   -4.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0291   -5.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0291   -6.0856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8932   -4.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1650   -3.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8706   -2.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2659   -5.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  5  1  0     0  0
  9 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 10  1  0     0  0
 11 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 12  1  0     0  0
  5 18  1  1     0  0
  2 19  1  1     0  0
 17 20  1  1     0  0
 20 21  1  0     0  0
 20 22  1  6     0  0
  9 23  1  1     0  0
 10 24  1  6     0  0
 11 25  1  6     0  0
  4 26  1  6     0  0
 21 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 29 31  1  0     0  0
 28 32  1  1     0  0
 32 33  1  0     0  0
 12 34  1  1     0  0
M  END
> <LM_ID>
LMST01040266

> <COMMON_NAME>
Stigmastanol

> <SYSTEMATIC_NAME>
5alpha-stigmastan-3beta-ol

> <FORMULA>
C29H52O

> <MASS>
416.40

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Dihydro-sitosterol; Fucostanol; Stigmastanol; Stigmastane-3-beta-ol; Beta-Sitostanol; Dihydro-beta-sitosterol

> <INCHI_KEY>
LGJMUZUPVCAVPU-HRJGVYIJSA-N

> <INCHI>
InChI=1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3/t20-,21-,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1

> <SMILES>
C1C[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])CC[C@@]2([H])C[C@H]1O

> <KEGG_ID>
-

> <HMDB_ID>


> <CHEBI_ID>
89400

> <ABBREVIATION>
ST 29:0;O

> <CAYMAN_ID>
26094

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
241572

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
4577

> <CITATION>
-

$$$$