LMST01010531
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
   11.0544    8.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1841    9.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0375    7.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3222    8.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1926    7.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0502   10.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3222    7.7798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4603    9.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3137    9.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1756    6.3603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4603    7.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6111    8.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6111    7.7798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7364    9.2839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7322    7.2813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1756    8.2700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3137    6.7743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9004    8.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4903    9.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9569   10.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9569   11.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9526    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9526    8.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7657   11.2428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9071   10.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6354   11.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0430   12.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7713   12.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7713   13.0970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2279   12.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3637   10.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3637   11.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2279   11.1013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1756   10.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9071   11.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9071   12.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4996   12.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4996   13.0970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 34  1  0  0  0  0
  2 16  1  6  0  0  0
  3  5  1  0  0  0  0
 20  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  1  0  0  0
 34  6  1  0  0  0  0
  5 10  2  0  0  0  0
  5  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7 17  1  1  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  1  0  0  0
 12 13  1  0  0  0  0
 13 15  1  1  0  0  0
 25 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 18  1  0  0  0  0
 25 19  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  1  0  0  0
 22 23  1  6  0  0  0
 25 24  1  6  0  0  0
 25 35  1  0  0  0  0
 35 28  1  0  0  0  0
 28 26  1  0  0  0  0
 26 37  1  0  0  0  0
 37 32  1  0  0  0  0
 35 27  1  6  0  0  0
 28 29  1  6  0  0  0
 32 30  1  0  0  0  0
 32 31  1  0  0  0  0
 32 33  1  0  0  0  0
 35 36  1  0  0  0  0
 37 38  1  6  0  0  0
M  END
> <LM_ID>
LMST01010531

> <COMMON_NAME>
Abutasterone

> <SYSTEMATIC_NAME>
2beta,3beta,14alpha,20,22R,24S,25-heptahydroxy-5beta-cholest-7-en-6-one

> <FORMULA>
C27H44O8

> <MASS>
496.30

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NXKBQUXBPMOHPK-MLXSIWSOSA-N

> <INCHI>
InChI=1S/C27H44O8/c1-23(2,33)21(31)12-22(32)26(5,34)20-7-9-27(35)15-10-17(28)16-11-18(29)19(30)13-24(16,3)14(15)6-8-25(20,27)4/h10,14,16,18-22,29-35H,6-9,11-13H2,1-5H3/t14-,16-,18+,19-,20-,21-,22+,24+,25+,26+,27+/m0/s1

> <SMILES>
C12=CC([C@]3([H])C[C@@H](O)[C@@H](O)C[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2(O)CC[C@@]1([C@](O)(C)[C@H](O)C[C@H](O)C(O)(C)C)[H])=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:2;O8

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11016518

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2635456

> <CITATION>
-

$$$$