LMST04070028
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    8.6774    6.8642    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6728    8.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9695    8.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9766    7.2669    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3840    8.0872    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3811    7.2742    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7881    7.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7910    8.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0888    8.4935    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3583    8.9526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0802    9.2839    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2773    6.8642    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2773    6.0558    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9766    5.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6774    6.0558    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5825    7.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8877    6.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8877    6.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5825    5.6608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2773    7.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.6608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7801    9.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3801    9.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3811    6.4659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4802    9.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1802    9.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8802    9.2839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5802    9.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0802   10.0922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7878    8.8993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9766    6.4586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6774    7.6725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3770    5.6510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2773    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1802   10.4963    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
  5 10  1  1  0  0  0
  9 11  1  0  0  0  0
  4 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  1  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 13  1  0  0  0  0
 12 20  1  1  0  0  0
 18 21  2  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  6  0  0  0
  6 24  1  6  0  0  0
 22 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
 11 29  1  1  0  0  0
  9 30  1  6  0  0  0
  4 31  1  6  0  0  0
  1 32  1  1  0  0  0
 15 33  1  1  0  0  0
 13 34  1  1  0  0  0
 26 35  2  0  0  0  0
M  END
> <LM_ID>
LMST04070028

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
7b-Hydroxy-3-oxo-5b-cholan-24-oate

> <FORMULA>
C25H40O4

> <MASS>
404.29

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C25 bile acids, alcohols, and derivatives [ST0407]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XHRLTYUHWGHDCJ-JFRFJXPMSA-N

> <INCHI>
InChI=1S/C25H40O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-16,18-21,23,27H,5-14H2,1-4H3/t15-,16+,18-,19+,20+,21+,23+,24+,25-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB00541

> <CHEBI_ID>
179144

> <ABBREVIATION>
ST 25:2;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14077678

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$