LMST04030126
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
    6.5263    7.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7490    6.5938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7490    5.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5263    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3036    5.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0808    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8582    5.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8582    6.5938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0808    7.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3036    6.5938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0808    7.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8582    8.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6354    7.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6354    7.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1900    7.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1900    7.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4127    8.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6354    8.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3036    7.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4127    9.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6818    9.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0346    9.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6564    9.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2782    9.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8999    9.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5218    9.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8999    8.5008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    8.6795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4127    9.8726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4409    5.2751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.3754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8582    7.3568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0639    6.2878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6354    6.3462    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  1  0  0  0
  3 31  2  0  0  0  0
  8 32  1  1  0  0  0
  9 33  1  6  0  0  0
 14 34  1  6  0  0  0
M  END
> <LM_ID>
LMST04030126

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
7beta-Hydroxycholest-4-en-3-one

> <FORMULA>
C27H44O2

> <MASS>
400.33

> <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>
IOIZWEJGGCZDOL-BXLWXSRCSA-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/h15,17-18,21-25,29H,6-14,16H2,1-5H3/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)CC2=CC(=O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284280

> <LIPIDBANK_ID>
BBA0452

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$