LMST01040303
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
   11.0750   -3.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9500   -3.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8249   -3.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7000   -3.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5749   -3.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4499   -3.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5749   -4.9973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7000   -2.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5749   -1.9662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2001   -3.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0750   -4.9973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9500   -5.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9500   -6.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2001   -6.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2001   -5.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3251   -7.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4500   -6.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4500   -5.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3251   -4.9973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3252   -8.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4500   -8.5335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5751   -8.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5751   -7.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7001   -8.5336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8252   -8.0285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8251   -7.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7001   -6.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5750   -6.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2001   -4.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4500   -7.2706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3251   -6.2855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3605   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5459   -4.6437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9502   -8.5338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1914   -8.5285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9500   -2.4817    0.0000 O   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
  5  7  1  0     0  0
  4  8  1  1     0  0
  8  9  1  0     0  0
  1 10  1  6     0  0
  1 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 14 15  1  0     0  0
 15 11  1  0     0  0
 14 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 15  1  0     0  0
 16 20  1  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
 23 17  1  0     0  0
 22 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 23  1  0     0  0
 14 13  1  0     0  0
 23 28  1  1     0  0
 15 29  1  1     0  0
 16 31  1  1     0  0
 17 30  1  6     0  0
 14 32  1  6     0  0
 11 33  1  6     0  0
 25 34  1  1     0  0
 20 35  1  6     0  0
  2 36  1  6     0  0
M  END
> <LM_ID>
LMST01040303

> <COMMON_NAME>
Stigmasta-5-ene-3beta,7alpha,22alpha-triol

> <SYSTEMATIC_NAME>
Stigmast-5-ene-3beta,7alpha,22R-triol

> <FORMULA>
C29H50O3

> <MASS>
446.38

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NZSAHCYFUVNLPX-VYNSOXFUSA-N

> <INCHI>
InChI=1S/C29H50O3/c1-7-19(17(2)3)14-25(31)18(4)22-8-9-23-27-24(11-13-29(22,23)6)28(5)12-10-21(30)15-20(28)16-26(27)32/h16-19,21-27,30-32H,7-15H2,1-6H3/t18-,19+,21-,22+,23-,24-,25+,26+,27-,28-,29+/m0/s1

> <SMILES>
[C@@H]([C@]1([H])[C@@]2(C)CC[C@]3([H])[C@@]4(C)CC[C@H](O)CC4=C[C@@H](O)[C@@]3([H])[C@]2([H])CC1)(C)[C@H](O)C[C@@H](CC)C(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 29:1;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11004815

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
443384

> <CITATION>
12762811

$$$$