LMST01040319
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
    5.8472   -7.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9225   -8.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9225   -9.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8472  -10.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7718   -9.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965  -10.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6211   -9.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6211   -8.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965   -7.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7718   -8.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965   -6.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6211   -6.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5457   -6.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5457   -7.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3950   -7.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3950   -6.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4705   -6.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5457   -5.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7718   -7.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4705   -5.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6010   -5.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2101   -4.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9498   -5.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6895   -4.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0692   -5.9185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4705   -4.4994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2613   -9.8490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6211   -7.4918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6763   -8.7636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5457   -8.6941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5480   -5.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4065   -4.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5479   -6.4698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6894   -3.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4866   -9.9670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5554   -3.4829    0.0000 C   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  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  1  0  0  0
 20 21  1  6  0  0  0
 17 25  1  6  0  0  0
 20 26  1  1  0  0  0
  3 27  1  1  0  0  0
  8 28  1  1  0  0  0
  9 29  1  6  0  0  0
 14 30  1  6  0  0  0
 24 31  1  0     0  0
 31 32  1  0     0  0
 31 33  1  0     0  0
 24 34  1  1     0  0
  7 35  1  1     0  0
 34 36  1  0     0  0
M  END
> <LM_ID>
LMST01040319

> <COMMON_NAME>
7beta-hydroxysitosterol

> <SYSTEMATIC_NAME>
Stigmast-5-en-3beta,7beta-diol

> <FORMULA>
C29H50O2

> <MASS>
430.38

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SXJVFYZNUGGHRG-PZHNMUJHSA-N

> <INCHI>
InChI=1S/C29H50O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-27,30-31H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,26+,27+,28+,29-/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)CC[C@@]4([H])[C@]3([H])[C@@H](O)C=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
70531

> <ABBREVIATION>
ST 29:1;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12309569

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
395614

> <CITATION>
-

$$$$