LMST01030126
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0  0  0  0  0  0  0  0999 V2000
    9.1458    6.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1412    8.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4161    7.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4234    7.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8741    7.9841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8711    7.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3214    7.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3244    7.9791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6006    8.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1434    7.5451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8476    8.8762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5917    9.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3132    9.6272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6018   10.0393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0199    9.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7295    9.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4363    9.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1458    9.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8702    6.3321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4363    8.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7027    6.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7027    5.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4234    5.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1458    5.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9866    7.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2705    6.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2705    5.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9866    5.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7027    7.5504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3152    8.7194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9533    9.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4234    6.3118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3132   10.3158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0199    8.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7295   10.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7027    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  5  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  1 10  1  1  0  0  0
  5 11  1  1  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  6 19  1  6  0  0  0
 17 20  1  0  0  0  0
  4 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24  1  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 22  1  0  0  0  0
 21 29  1  1  0  0  0
  9 31  1  6  0  0  0
 12 32  1  6  0  0  0
  4 33  1  6  0  0  0
 13 34  1  1  0  0  0
 15 35  1  1  0  0  0
 16 36  1  1  0  0  0
 22 37  1  6  0  0  0
 27 30  1  6  0  0  0
M  END
> <LM_ID>
LMST01030126

> <COMMON_NAME>
6-Deoxotyphasterol

> <SYSTEMATIC_NAME>
5alpha-campestan-3alpha,22R,23R-triol

> <FORMULA>
C28H50O3

> <MASS>
434.38

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Ergosterols and C24-methyl derivatives [ST0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WPHVOXMMNSLJSF-DAWJDVIISA-N

> <INCHI>
InChI=1S/C28H50O3/c1-16(2)17(3)25(30)26(31)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h16-26,29-31H,7-15H2,1-6H3/t17-,18-,19-,20+,21-,22+,23-,24-,25+,26+,27-,28+/m0/s1

> <SMILES>
[C@]12(CC[C@@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])[C@@H](O)[C@H](O)[C@@H](C)C(C)C)CC[C@@]21[H])[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
20717

> <ABBREVIATION>
ST 28:0;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061346

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$