LMST04010382
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.5245    7.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7483    6.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7483    5.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5245    5.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3007    5.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0769    5.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8532    5.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8532    6.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0769    7.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3007    6.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0769    8.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8532    8.5319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6293    8.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6293    7.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1818    7.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1818    8.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4056    8.5319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6293    8.7784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3007    7.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4056    9.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6757    9.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0266    9.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6476    9.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2685    9.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.5225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8532    9.2022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3007    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2685   10.2311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8894    9.2489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0600    6.4336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9083    8.8221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4056   10.0135    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  2  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  2  0  0  0  0
 12 26  2  0  0  0  0
  5 27  1  1  0  0  0
 24 28  2  0  0  0  0
 24 29  1  0  0  0  0
  9 30  1  6  0  0  0
 17 31  1  6  0  0  0
 20 32  1  1  0  0  0
M  END
> <LM_ID>
LMST04010382

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3,12-Dioxo-5beta-chol-8(14)-en-24-oic Acid

> <FORMULA>
C24H34O4

> <MASS>
386.25

> <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>
ORVKCJUXPZHSHU-MPIMAAFCSA-N

> <INCHI>
InChI=1S/C24H34O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-15,18,20H,4-13H2,1-3H3,(H,27,28)/t14-,15-,18-,20+,23+,24-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC(=O)[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(O)=O)CCC4=C3CC[C@]2([H])CC(=O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
197100

> <ABBREVIATION>
ST 24:4;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284126

> <LIPIDBANK_ID>
BBA0666

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$