LMST04010361
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
    5.7732    7.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7732    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5465    5.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3197    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0931    5.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0931    6.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3197    7.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5465    6.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3197    7.9262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0931    8.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8662    7.9262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8662    7.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4128    7.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4128    7.9262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6396    8.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8662    8.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5465    7.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6396    9.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9124    9.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2581    9.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8767    9.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4953    9.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6727    5.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0931    9.0404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4953   10.0654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1138    9.0870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0931    7.3459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3028    6.2824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8662    6.3405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1403    8.6618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6396    9.8486    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  2  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  2  0  0  0  0
 12 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>
LMST04010361

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
7,12-Dioxochol-5-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>
DDOYZZDPPXKMQA-KZMXVWCJSA-N

> <INCHI>
InChI=1S/C24H34O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h12,14,16-18,22H,4-11,13H2,1-3H3,(H,27,28)/t14-,16-,17+,18+,22+,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)CC[C@@]4([H])[C@]3([H])C(=O)C=C2CCC1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
197006

> <ABBREVIATION>
ST 24:4;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284106

> <LIPIDBANK_ID>
BBA0645

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$