LMST01040240
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
   -1.7029    0.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4173   -0.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4173   -1.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7029   -1.4335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2739   -1.4335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4405   -1.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9884   -0.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2739    1.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4405    1.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9396   -0.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    0.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9884    0.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2739    0.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2739   -0.6085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4405   -0.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4405    0.6290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1550    0.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1550    1.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1550    1.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1550   -0.6085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3686    2.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6541    2.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7976    2.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7976    1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5120    2.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2251    2.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9396    2.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0830    2.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9396    1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6541    1.7089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0830    3.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3685    3.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9884   -1.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833   -1.5210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2739   -2.4335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9884   -2.0210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 17 18  1  0  0  0  0
 18 29  1  0  0  0  0
 18  9  1  0  0  0  0
 15 17  1  0  0  0  0
 17 10  1  0  0  0  0
 13  8  1  0  0  0  0
  7 13  1  0  0  0  0
 13 15  1  0  0  0  0
 15  6  1  0  0  0  0
 33  7  1  0  0  0  0
  7 12  1  1  0  0  0
  7  1  1  0  0  0  0
 29 11  1  0  0  0  0
  8  9  1  0  0  0  0
 11 10  1  0  0  0  0
  5  6  1  0  0  0  0
 33  4  1  0  0  0  0
 33  5  1  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  3  2  1  0  0  0  0
 13 14  1  6  0  0  0
 15 16  1  1  0  0  0
 17 20  1  6  0  0  0
 18 19  1  1  0  0  0
 21 22  1  0  0  0  0
 21 28  1  0  0  0  0
 27 22  1  0  0  0  0
 29 27  1  0  0  0  0
 23 28  1  0  0  0  0
 25 23  1  0  0  0  0
 23 24  1  0  0  0  0
 27 26  1  6  0  0  0
 28 31  1  1  0  0  0
 29 30  1  6  0  0  0
 31 32  1  0  0  0  0
  3 34  1  1     0  0
  5 35  1  1     0  0
 33 36  1  6     0  0
M  END
> <LM_ID>
LMST01040240

> <COMMON_NAME>
(3beta,5alpha,6beta,24R)-Stigmastane-3,5,6-triol

> <SYSTEMATIC_NAME>
Stigmastane-3beta,5alpha,6beta-triol

> <FORMULA>
C29H52O3

> <MASS>
448.39

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VGSSUFQMXBFFTM-METNKUIYSA-N

> <INCHI>
InChI=1S/C29H52O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-26,30-32H,7-17H2,1-6H3/t19-,20-,21+,22+,23-,24+,25+,26-,27-,28-,29+/m1/s1

> <SMILES>
C1C[C@H](O)C[C@]2(O)[C@H](O)C[C@]3([H])[C@@]([H])([C@]21C)CC[C@]1(C)[C@@]([H])([C@H](C)CC[C@@H](CC)C(C)C)CC[C@]13[H]

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0030014

> <CHEBI_ID>
67593

> <ABBREVIATION>
ST 29:0;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
3036251

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$