LMST04010242
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
    6.5207    7.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7467    6.5882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7467    5.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5207    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2947    5.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8428    5.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8428    6.5882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687    7.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2947    6.5882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687    7.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8428    8.3758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6167    7.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6167    7.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1648    7.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1648    7.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3908    8.3758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6167    8.6216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2947    7.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3908    9.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6630    9.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0100    9.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6292    9.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2484    9.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4230    5.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.3749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2484   10.0701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8675    9.0907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8428    7.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0518    6.2834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6167    6.3416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8920    8.6651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3908    9.8531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  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
  7 25  1  6  0  0  0
  3 26  2  0  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>
LMST04010242

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
7alpha-Hydroxy-3-oxochola-1,4-dien-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>
DSJUPINAPLIUNZ-NLXMLWGDSA-N

> <INCHI>
InChI=1S/C24H34O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h8,10,12,14,17-20,22,26H,4-7,9,11,13H2,1-3H3,(H,27,28)/t14-,17-,18+,19+,20-,22+,23+,24-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(O)=O)CC[C@@]4([H])[C@]3([H])[C@H](O)CC2=CC(=O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185743

> <ABBREVIATION>
ST 24:4;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283997

> <LIPIDBANK_ID>
BBA0242

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$