LMST04010233
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.5157    7.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7446    6.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7446    5.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5157    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2868    5.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0579    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8291    5.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8291    6.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0579    7.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2868    6.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0579    7.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8291    8.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6001    7.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6001    7.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    7.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    7.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3713    8.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6001    8.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2868    7.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3713    9.0763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6461    9.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9881    9.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6050    9.0763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2219    9.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.3744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2219   10.0520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8386    9.0763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8291    7.3401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0411    6.2795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6001    6.3375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8706    8.6523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3713    9.8358    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  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
  3 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
  8 28  1  1  0  0  0
  9 29  1  6  0  0  0
 14 30  1  6  0  0  0
 17 31  1  6  0  0  0
 20 32  1  1  0  0  0
M  END
> <LM_ID>
LMST04010233

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3-oxochol-4-en-24-oic acid

> <FORMULA>
C24H36O3

> <MASS>
372.27

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3-oxochol-4-ene-24-oic acid

> <INCHI_KEY>
WCFIGQHNBJXROP-IHMUCKAYSA-N

> <INCHI>
InChI=1S/C24H36O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h14-15,18-21H,4-13H2,1-3H3,(H,26,27)/t15-,18+,19-,20+,21+,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])CCC2=CC(=O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
176827

> <ABBREVIATION>
ST 24:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283990

> <LIPIDBANK_ID>
BBA0233

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$