LMST04030221
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
    6.6220    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9076    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6220    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3364    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0510    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7654    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3364    6.4850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0510    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7654    8.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2645    6.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7495    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3364    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0510    6.8975    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0510    6.0725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7654    6.4850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4799    6.8975    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4799    7.7225    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4799    8.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4799    6.0725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6935    8.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9790    9.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1225    8.8024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1225    7.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8369    9.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5500    9.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2645    8.8024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.4079    9.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2645    7.9774    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9790    8.3899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9076    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5515    8.8024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8369   10.0400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7654    7.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  1  0  0  0  0
 17 28  1  0  0  0  0
 17  9  1  0  0  0  0
 16 15  1  0  0  0  0
 16 10  1  0  0  0  0
 13  8  1  0  0  0  0
 13  7  1  0  0  0  0
 15 13  1  0  0  0  0
 15  6  1  0  0  0  0
  7  4  1  0  0  0  0
  7 12  1  1  0  0  0
  7  1  1  0  0  0  0
 11 28  1  0  0  0  0
  8  9  1  0  0  0  0
 11 10  1  0  0  0  0
  5  6  1  0  0  0  0
  4  3  2  0  0  0  0
  4  5  1  0  0  0  0
  2  1  1  0  0  0  0
 30  3  1  0  0  0  0
 30  2  1  0  0  0  0
 13 14  1  6  0  0  0
 16 19  1  6  0  0  0
 17 18  1  1  0  0  0
 20 21  1  0  0  0  0
 20 27  1  0  0  0  0
 21 26  1  0  0  0  0
 26 28  1  0  0  0  0
 22 27  1  0  0  0  0
 24 22  1  0  0  0  0
 22 23  1  1  0  0  0
 26 25  1  6  0  0  0
 28 29  1  6  0  0  0
 30 31  2  0  0  0  0
 24 32  1  0  0  0  0
 24 33  2  0  0  0  0
 15 34  1  1  0  0  0
M  END
> <LM_ID>
LMST04030221

> <COMMON_NAME>
(25S)-Delta(4)-dafachronic acid

> <SYSTEMATIC_NAME>
(25S)-3-oxocholest-4-en-26-oic acid

> <FORMULA>
C27H42O3

> <MASS>
414.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C27 bile acids, alcohols, and derivatives [ST0403]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
71560

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
SLM:000000139

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16734910

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST04030221

$$$$