LMST04030172
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
    9.3977    8.0747    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3977    7.2659    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9667    7.2659    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6979    6.8615    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2589    6.8615    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1832    8.3236    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9667    8.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1832    7.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6576    7.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6979    6.0294    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2589    6.0294    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9667    5.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1832    9.1791    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3977    8.9225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2583    7.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5512    7.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6221    9.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9143    9.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5512    5.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4288    9.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8278    6.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8278    6.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4055    6.4336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7056    7.6859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9667    6.4336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9065    8.7359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0532    9.2335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0532    8.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7609    9.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.6420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3839    5.6420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2609    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3298    9.6303    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.3298   10.4569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6979    8.4948    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6979    9.3214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  6  1  1  0  0  0  0
 35  1  1  0  0  0  0
  1 14  1  1  0  0  0
  4  2  1  0  0  0  0
  8  2  1  0  0  0  0
  2 23  1  6  0  0  0
  7  3  1  0  0  0  0
  5  3  1  0  0  0  0
  4  3  1  0  0  0  0
  3 25  1  6  0  0  0
 10  4  1  0  0  0  0
  4 24  1  1  0  0  0
 11  5  1  0  0  0  0
  5 15  1  1  0  0  0
 16  5  1  0  0  0  0
  9  6  1  0  0  0  0
 13  6  1  0  0  0  0
  6 26  1  6  0  0  0
  7 35  1  0  0  0  0
  9  8  1  0  0  0  0
 12 10  1  0  0  0  0
 19 11  1  0  0  0  0
 12 11  1  0  0  0  0
 18 13  1  0  0  0  0
 13 20  1  6  0  0  0
 21 16  1  0  0  0  0
 18 17  1  0  0  0  0
 33 17  1  0  0  0  0
 22 19  1  0  0  0  0
 27 33  1  0  0  0  0
 22 21  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
 22 30  2  0  0  0  0
 10 31  1  6  0  0  0
 11 32  1  1  0  0  0
 33 34  1  0  0  0  0
 35 36  1  6  0  0  0
M  END
> <LM_ID>
LMST04030172

> <COMMON_NAME>
7alpha,12alpha,24-trihydroxy-5beta-cholestan-3-one

> <SYSTEMATIC_NAME>
7alpha,12alpha,24-trihydroxy-5beta-cholestan-3-one

> <FORMULA>
C27H46O4

> <MASS>
434.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
5beta-cholestan-7alpha,12alpha,24-triol-3-one

> <INCHI_KEY>
OESDJUYDQFBVDE-DEPJWOTISA-N

> <INCHI>
InChI=1S/C27H46O4/c1-15(2)22(29)9-6-16(3)19-7-8-20-25-21(14-24(31)27(19,20)5)26(4)11-10-18(28)12-17(26)13-23(25)30/h15-17,19-25,29-31H,6-14H2,1-5H3/t16-,17+,19-,20+,21+,22?,23-,24+,25+,26+,27-/m1/s1

> <SMILES>
[C@]12(C)[C@@H](O)C[C@@]3([H])[C@@]([H])([C@H](O)C[C@]4([H])CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2([H])[C@H](C)CCC(O)C(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
48715

> <ABBREVIATION>
ST 27:1;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24755587

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$