LMST04010289
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
    5.7711    7.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7711    5.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    5.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3134    5.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0846    5.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0846    6.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3134    7.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    6.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3134    8.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0846    8.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8556    8.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8556    7.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3980    7.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3980    8.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6268    8.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8556    8.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    7.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6268    9.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9017    9.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2437    9.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8606    9.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4775    9.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5608    8.4996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4775   10.1984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0943    9.2227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0846    7.4864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2965    6.4258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8556    6.4838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1262    8.7987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6268    9.9823    0.0000 H   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  1  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
  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
 11 25  2  0  0  0  0
  5 26  1  1  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
  8 29  1  1  0  0  0
  9 30  1  6  0  0  0
 14 31  1  6  0  0  0
 17 32  1  6  0  0  0
 20 33  1  1  0  0  0
M  END
> <LM_ID>
LMST04010289

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
11-Oxo-5beta-cholan-24-oic Acid

> <FORMULA>
C24H38O3

> <MASS>
374.28

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C24 bile acids, alcohols, and derivatives [ST0401]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FGDXIZHFWGVASQ-WJWIFTCOSA-N

> <INCHI>
InChI=1S/C24H38O3/c1-15(7-12-21(26)27)18-10-11-19-17-9-8-16-6-4-5-13-23(16,2)22(17)20(25)14-24(18,19)3/h15-19,22H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17+,18-,19+,22-,23+,24-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])C(=O)C[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(O)=O)CC[C@@]4([H])[C@]3([H])CC[C@]2([H])CCC1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 24:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284042

> <LIPIDBANK_ID>
BBA0289

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$