LMST04010296
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.5203    7.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7465    6.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7465    5.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5203    5.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2940    5.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0678    5.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8416    5.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8416    6.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0678    7.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2940    6.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0678    8.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8416    8.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6153    8.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6153    7.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1629    7.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1629    8.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3891    8.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6153    8.7672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2940    7.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3891    9.2362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6615    9.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0081    9.5936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6271    9.2362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2461    9.5936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.5216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2940    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2461   10.2153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8650    9.2362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8416    7.4940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0509    6.4298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8902    8.8108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3891    9.9984    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  2  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
  5 26  1  1  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
 17 31  1  6  0  0  0
 20 32  1  1  0  0  0
M  END
> <LM_ID>
LMST04010296

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3-Oxo-5beta-chol-14-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>


> <INCHI_KEY>
KQRUDKQAQBGZRY-FVZQQHRNSA-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/h8,15-16,18-19,21H,4-7,9-14H2,1-3H3,(H,26,27)/t15-,16-,18+,19-,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=C4[C@]3([H])CC[C@]2([H])CC(=O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 24:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284049

> <LIPIDBANK_ID>
BBA0296

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$