LMST04030171
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    9.3919    7.7018    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3919    6.8940    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9628    6.8940    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6930    6.4902    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2561    6.4902    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1764    7.9503    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9628    7.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1764    6.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6501    7.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6930    5.6592    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2561    5.6592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9628    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1764    8.8047    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3919    8.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2555    7.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5493    6.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6132    8.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9065    9.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5493    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4230    9.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8270    6.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8270    5.6592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3997    6.0629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7007    7.3134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9628    6.0629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8987    8.3620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0423    8.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0423    8.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7491    9.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3782    5.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200    9.2551    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.3200   10.0807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6930    8.1212    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6930    8.9468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  6  1  0  0  0  0
  1 34  1  0  0  0  0
  1 14  1  1  0  0  0
  4  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2 23  1  6  0  0  0
  3  7  1  0  0  0  0
  5  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  6  0  0  0
  4 10  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
  5 16  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  6 26  1  6  0  0  0
  7 34  1  0  0  0  0
  9  8  1  0  0  0  0
 10 12  1  0  0  0  0
 11 19  2  0  0  0  0
 11 12  1  0  0  0  0
 13 18  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
 32 17  1  0  0  0  0
 22 19  1  0  0  0  0
 27 32  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
 32 33  1  0  0  0  0
 34 35  1  6  0  0  0
M  END
> <LM_ID>
LMST04030171

> <COMMON_NAME>
7alpha,12alpha,24-trihydroxycholest-4-en-3-one

> <SYSTEMATIC_NAME>
7alpha,12alpha,24-trihydroxycholest-4-en-3-one

> <FORMULA>
C27H44O4

> <MASS>
432.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
4-cholesten-7alpha,12alpha,24-triol-3-one

> <INCHI_KEY>
JZKUXZQOULZTIJ-GZQVFMGISA-N

> <INCHI>
InChI=1S/C27H44O4/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/h12,15-16,19-25,29-31H,6-11,13-14H2,1-5H3/t16-,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)CC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2([H])[C@H](C)CCC(O)C(C)C

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0062399

> <CHEBI_ID>
48714

> <ABBREVIATION>
ST 27:2;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24755588

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$