LMST04030255
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
   11.0133    7.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0078    9.8470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1468    9.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1557    8.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8779    9.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8744    8.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5963    8.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5998    9.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7406    9.8523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0105    8.8338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8464   10.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7298   10.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5865   11.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7418   11.7949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4255   10.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2681   11.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1073   10.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9498   11.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8733    7.3936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1073    9.8298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000    7.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000    6.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1557    6.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0133    6.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4498    8.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5995    7.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5995    6.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4498    6.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000    8.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7493    6.3859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5890   10.2280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9719   11.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1557    7.3696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8809    6.3672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8161   10.7897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9534   12.2964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2713   12.2034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  5  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  1 10  1  1  0  0  0
  5 11  1  1  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
  6 19  1  6  0  0  0
 17 20  1  0  0  0  0
  4 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24  1  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 22  2  0  0  0  0
 21 29  1  1  0  0  0
 27 30  2  0  0  0  0
  9 31  1  6  0  0  0
 12 32  1  6  0  0  0
  4 33  1  6  0  0  0
 24 34  1  6     0  0
 18 35  1  0     0  0
 18 36  2  0     0  0
 16 37  2  0     0  0
M  END
> <LM_ID>
LMST04030255

> <COMMON_NAME>
7alpha-hydroxy-3,24-dioxo-4-cholestenoic acid

> <SYSTEMATIC_NAME>
7alpha-Hydroxy-3,24-bisoxocholest-4-en-(25R)26-oic acid

> <FORMULA>
C27H40O5

> <MASS>
444.29

> <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>
ZJWCOQKCDLLIIY-PHSSNBPSSA-N

> <INCHI>
InChI=1S/C27H40O5/c1-15(5-8-22(29)16(2)25(31)32)19-6-7-20-24-21(10-12-27(19,20)4)26(3)11-9-18(28)13-17(26)14-23(24)30/h13,15-16,19-21,23-24,30H,5-12,14H2,1-4H3,(H,31,32)/t15-,16-,19-,20+,21+,23-,24+,26+,27-/m1/s1

> <SMILES>
[C@]12([C@H](O)CC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCC(=O)[C@@H](C)C(=O)O)CC[C@@]21[H])[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:4;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119131

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10090

> <CITATION>
30471425

$$$$