LMST01030130
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
   11.1031    8.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0976   10.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2150   10.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2240    9.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9894   10.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9858    9.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7507    9.2288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7543   10.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8736   10.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1002    9.7205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9572   11.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8627   11.7559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7407   12.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8749   12.7557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6007   11.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4643   12.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3243   11.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1879   12.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9847    8.2444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3243   10.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3470    8.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3470    7.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2240    7.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1031    7.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4755    9.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6040    8.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6040    7.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4755    7.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3470    9.7269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.2114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7431   11.1496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0858   12.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2240    8.2196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7407   13.0922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6007   11.0271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4643   13.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3470    6.9245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2240    6.3606    0.0000 O   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
 23 38  2  0  0  0  0
M  END
> <LM_ID>
LMST01030130

> <COMMON_NAME>
Typhasterol

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

> <FORMULA>
C28H48O4

> <MASS>
448.36

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2-Deoxycastasterone; 3alpha,22R,23R-trihydroxy-24S-methyl-5alpha-cholestan-6-one

> <INCHI_KEY>
SBSXXCCMIWEPEE-SELDZKRUSA-N

> <INCHI>
InChI=1S/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23+,25+,26+,27+,28+/m0/s1

> <SMILES>
[C@]12(CC(=O)[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>
27173

> <ABBREVIATION>
ST 28:1;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13475120

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
4733

> <CITATION>
-

$$$$