LMST01010271
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
    6.5754    7.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7938    6.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7938    5.7316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5754    5.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3573    5.7316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1390    5.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9210    5.7316    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9210    6.6343    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1390    7.0857    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3573    6.6343    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1390    7.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9210    8.4399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7026    7.9884    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7026    7.0857    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2664    7.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2664    7.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4845    8.4399    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7026    8.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3573    7.2664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4845    9.1620    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7493    9.3590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1099    9.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7353    9.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3608    9.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9862    9.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6116    9.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9862    8.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9908    8.7321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4845    9.9321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1390    6.4001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.3848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9210    7.3066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7026    6.4035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4052    5.2475    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
  9 30  1  6  0  0  0
  3 31  2  0  0  0  0
  8 32  1  1  0  0  0
 14 33  1  6  0  0  0
  7 34  1  6  0  0  0
M  END
> <LM_ID>
LMST01010271

> <COMMON_NAME>
3-oxo-7alpha-hydroxycholesterol 

> <SYSTEMATIC_NAME>
7alpha-hydroxy-cholest-5-en-3-one

> <FORMULA>
C27H44O2

> <MASS>
400.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3-keto-7alpha-hydroxycholesterol; 7alpha-hydroxy-cholesten-3-one

> <INCHI_KEY>
RHAPOGOMBGUDQA-RQDYSCIWSA-N

> <INCHI>
InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,21-25,29H,6-15H2,1-5H3/t18-,21-,22+,23+,24-,25+,26+,27-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCCC(C)C)CC[C@@]4([H])[C@]3([H])[C@H](O)C=C2CC(=O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
166807

> <ABBREVIATION>
ST 27:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931312

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$