LMST01040277
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
    8.3747    8.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4188    7.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4188    6.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3747    6.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3304    6.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2863    6.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2423    6.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2423    7.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2863    8.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3304    7.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2863    9.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2423    9.9261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1981    9.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1981    8.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1099    8.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1099    9.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1541    9.9261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1981   10.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3304    8.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1541   10.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2552   11.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9187   11.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6833   10.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4480   11.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2127   10.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9775   11.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2127   10.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7731   10.2834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1541   11.7505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7351    6.2201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4463   11.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8707   12.4733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2423    8.6568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2655    7.3421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1981    7.4140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2424   10.9261    0.0000 O   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
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  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 28  1  6  0  0  0
 20 29  1  1  0  0  0
  3 30  1  1  0  0  0
 24 31  1  1  0  0  0
 31 32  1  0  0  0  0
  8 33  1  1  0  0  0
  9 34  1  6  0  0  0
 14 35  1  6  0  0  0
 12 36  1  6     0  0
M  END
> <LM_ID>
LMST01040277

> <COMMON_NAME>
12alpha-hydroxy Sitosterol

> <SYSTEMATIC_NAME>
Stigmast-5-en-3beta,12alpha-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>
IXBBLFXYJJQHCR-OEQCUGFGSA-N

> <INCHI>
InChI=1S/C29H50O2/c1-7-20(18(2)3)9-8-19(4)24-12-13-25-23-11-10-21-16-22(30)14-15-28(21,5)26(23)17-27(31)29(24,25)6/h10,18-20,22-27,30-31H,7-9,11-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28+,29-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@]([H])([C@]([H])(C)CC[C@@H](CC)C(C)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 29:1;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171118774

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
61149

> <CITATION>
20671299

$$$$