LMST04030220
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    6.6220    7.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9076    6.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6220    5.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3364    6.0724    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0509    5.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7653    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3364    6.8974    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0509    8.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7653    8.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2644    7.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7494    7.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3364    7.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0509    7.3099    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0509    6.4849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7653    6.8974    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4798    7.3099    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4798    8.1349    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4798    8.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4798    6.4849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6933    9.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9789    9.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1223    9.2148    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1223    8.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8368    9.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5499    9.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2644    9.2148    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.4077    9.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2644    8.3897    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9789    8.8023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9076    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.6599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5513    9.2148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8368   10.4523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3364    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7653    7.7224    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  1  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
  4 34  1  6  0  0  0
 15 35  1  1  0  0  0
M  END
> <LM_ID>
LMST04030220

> <COMMON_NAME>
(25S)-dafachronic acid

> <SYSTEMATIC_NAME>
(5alpha,25S)-3-oxocholestan-26-oic acid

> <FORMULA>
C27H44O3

> <MASS>
416.33

> <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>
71607

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
25172310

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST04030220

$$$$