LMST01040304
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
   11.0749   -3.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9499   -3.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8248   -3.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6999   -3.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5748   -3.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4498   -3.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5748   -4.9973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6999   -2.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5748   -1.9662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2000   -3.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0749   -4.9973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9499   -5.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9499   -6.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2000   -6.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2000   -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
   10.2000   -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
   10.3604   -7.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5458   -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
   10.1913   -8.5285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9499   -2.4817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7001   -9.5336    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
 24 37  1  1     0  0
M  END
> <LM_ID>
LMST01040304

> <COMMON_NAME>
Stigmasta-5-ene-3beta,4beta,7alpha,22alpha-tetraol

> <SYSTEMATIC_NAME>
Stigmast-5-ene-3beta,4beta,7alpha,22R-tetraol

> <FORMULA>
C29H50O4

> <MASS>
462.37

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FWYCPLNBQGHPTR-DSPGLNSMSA-N

> <INCHI>
InChI=1S/C29H50O4/c1-7-18(16(2)3)14-24(31)17(4)19-8-9-20-26-21(10-12-28(19,20)5)29(6)13-11-23(30)27(33)22(29)15-25(26)32/h15-21,23-27,30-33H,7-14H2,1-6H3/t17-,18+,19+,20-,21-,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)[C@H](O)C4=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;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21629646

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
443384

> <CITATION>
12762811

$$$$