LMST04010354
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    6.8899    7.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1113    6.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1113    5.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8899    5.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6685    5.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4470    5.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2257    5.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2257    6.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4470    7.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6685    6.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4470    8.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2257    8.5419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042    8.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042    7.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5614    7.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5614    8.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7829    8.5419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042    8.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6685    7.3732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7829    9.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0507    9.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4057    9.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0286    9.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6514    9.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8093    5.4228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6872    8.5310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6685    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6514   10.2463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2742    9.2611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2257    7.5080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4300    6.4372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042    6.4957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2870    8.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7829   10.0280    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
  3 25  1  6  0  0  0
  7 26  1  6  0  0  0
 11 27  2  0  0  0  0
  5 28  1  1  0  0  0
 24 29  2  0  0  0  0
 24 30  1  0  0  0  0
  8 31  1  1  0  0  0
  9 32  1  6  0  0  0
 14 33  1  6  0  0  0
 17 34  1  6  0  0  0
 20 35  1  1  0  0  0
M  END
> <LM_ID>
LMST04010354

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3alpha,7alpha-Dihydroxy-11-oxo-5beta-cholan-24-oic Acid

> <FORMULA>
C24H38O5

> <MASS>
406.27

> <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>
XFPBNKZTJHGPKH-RXBMHRJUSA-N

> <INCHI>
InChI=1S/C24H38O5/c1-13(4-7-20(28)29)16-5-6-17-21-18(26)11-14-10-15(25)8-9-23(14,2)22(21)19(27)12-24(16,17)3/h13-18,21-22,25-26H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18-,21-,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])[C@H](O)C[C@]2([H])C[C@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 24:2;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284101

> <LIPIDBANK_ID>
BBA0638

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$