LMST04030114
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    6.5329    7.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7518    6.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7518    5.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5329    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3140    5.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0951    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8763    5.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8763    6.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0951    7.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3140    6.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0951    7.9534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8763    8.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6573    7.9534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6573    7.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2196    7.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2196    7.9534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4385    8.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6573    8.6525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3140    7.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4385    9.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7039    9.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0634    9.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6882    9.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3131    9.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9379    9.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5629    9.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9379    8.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9443    8.6965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4385    9.8954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4618    5.2753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8763    9.0790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.3761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8763    7.3672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0780    6.2929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6573    6.3516    0.0000 H   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  2  0  0  0  0
  5  6  1  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
  7 30  1  6  0  0  0
 12 31  1  6  0  0  0
  3 32  2  0  0  0  0
  8 33  1  1  0  0  0
  9 34  1  6  0  0  0
 14 35  1  6  0  0  0
M  END
> <LM_ID>
LMST04030114

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
7alpha,12alpha-Dihydroxycholest-4-en-3-one

> <FORMULA>
C27H44O3

> <MASS>
416.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C27 bile acids, alcohols, and derivatives [ST0403]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UQPYXHJTHPHOMM-NIBOIBLTSA-N

> <INCHI>
InChI=1S/C27H44O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h13,16-17,20-25,29-30H,6-12,14-15H2,1-5H3/t17-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@]([H])([C@]([H])(C)CCCC(C)C)CC[C@@]4([H])[C@]3([H])[C@H](O)CC2=CC(=O)C1

> <KEGG_ID>
C17339

> <HMDB_ID>
-

> <CHEBI_ID>
28477

> <ABBREVIATION>
ST 27:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000485650

> <PUBCHEM_COMPOUND_ID>
3081958

> <LIPIDBANK_ID>
BBA0440

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$