LMST04030180
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    7.0137    7.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2363    6.5943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2363    5.6965    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0137    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7914    5.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5688    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3466    5.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3466    6.5943    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5688    7.0433    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7914    6.5943    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5688    7.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3466    8.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1239    7.9411    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1239    7.0433    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6793    7.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6793    7.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9016    8.3901    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1239    8.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7914    7.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9016    9.1084    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1704    9.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5236    9.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1457    9.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7677    9.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3898    9.1084    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.0118    9.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3898    8.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3466    7.3576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1239    6.3466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4051    8.6808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9016    9.8743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5688    6.3614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.3028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6528    9.0974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9709    5.3360    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  6  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
  8 28  1  1  0  0  0
 14 29  1  6  0  0  0
 17 30  1  6  0  0  0
 20 31  1  1  0  0  0
  9 32  1  6  0  0  0
  3 33  1  1  0  0  0
 26 34  1  0  0  0  0
  7 35  2  0  0  0  0
M  END
> <LM_ID>
LMST04030180

> <COMMON_NAME>
3beta,27-dihydroxy-5-cholesten-7-one

> <SYSTEMATIC_NAME>
(25R)-7-oxo-cholest-5-en-3beta,27-diol 

> <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>
3beta,26-dihydroxy-5-cholesten-7-one

> <INCHI_KEY>
LFNAJBFFWWMSEW-HNFKANRHSA-N

> <INCHI>
InChI=1S/C27H44O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h15,17-18,20-23,25,28-29H,5-14,16H2,1-4H3/t17-,18-,20+,21-,22+,23+,25+,26+,27-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC[C@@H](C)CO)CC[C@@]4([H])[C@]3([H])C(=O)C=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
87653

> <ABBREVIATION>
ST 27:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000485715

> <PUBCHEM_COMPOUND_ID>
52931520

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$