LMST01010100
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    9.1115    6.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1069    8.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3887    7.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3960    6.8949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8328    7.7322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8298    6.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2662    6.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2691    7.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5523    8.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1091    7.2974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8065    8.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5435    8.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2581    9.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5535    9.7677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9580    8.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6609    9.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3608    8.9474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0636    9.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8289    6.0960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3608    8.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6821    6.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6821    5.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3960    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1115    5.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9729    6.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2636    6.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2636    5.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9729    5.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6821    7.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.2554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2601    8.4605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9112    9.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3960    6.0760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9370    7.7957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2524    9.9384    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  6  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  2  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
 27 30  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
 20 34  1  0  0  0  0
 13 35  2  0  0  0  0
M  END
> <LM_ID>
LMST01010100

> <COMMON_NAME>
Dormatinone

> <SYSTEMATIC_NAME>
(25S)-3beta,26-dihydroxycholest-5-en-22-one

> <FORMULA>
C27H44O3

> <MASS>
416.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ANPHLQXCHVRCDX-LURFOZDGSA-N

> <INCHI>
InChI=1S/C27H44O3/c1-17(16-28)5-10-25(30)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-24,28-29H,5,7-16H2,1-4H3/t17-,18-,20-,21-,22+,23-,24-,26-,27+/m0/s1

> <SMILES>
[C@]12(CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])C(=O)CC[C@@H](CO)C)CC[C@@]21[H])[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187863

> <ABBREVIATION>
ST 27:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061333

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$