LMST04010049
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
    7.0052    8.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    8.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    7.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0052    6.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9496    7.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8941    6.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8386    7.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8386    8.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8941    8.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9496    8.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8941    9.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8386   10.3570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7829    9.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7829    8.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6719    8.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6719    9.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7276   10.3570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7829   10.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9496    8.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7276   11.2294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8394   11.4673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4831   11.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2386   11.2294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9941   11.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5466    6.5734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8386   11.1725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9496    6.3607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9941   12.4244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7497   11.2294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8386    9.1028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8735    7.8039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7829    7.8749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3391   10.7101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7276   12.1597    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  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  1  6  0  0  0
 12 26  1  6  0  0  0
  5 27  1  1  0  0  0
 24 28  2  0  0  0  0
 24 29  1  0  0  0  0
  8 30  1  1  0  0  0
  9 31  1  6  0  0  0
 14 32  1  6  0  0  0
 17 33  1  6  0  0  0
 20 34  1  1  0  0  0
M  END
> <LM_ID>
LMST04010049

> <COMMON_NAME>
3-deoxy Cholic Acid

> <SYSTEMATIC_NAME>
7alpha,12alpha-Dihydroxy-5beta-cholan-24-oic Acid

> <FORMULA>
C24H40O4

> <MASS>
392.29

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Isodeoxycholic Acid; 3-deoxyCA

> <KEGG_ID>
C17661

> <HMDB_ID>
HMDB0002536

> <YMDB_ID>
-

> <CHEBI_ID>
81256

> <CAYMAN_ID>
29890

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
164672

> <LIPIDBANK_ID>
BBA0049

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://www.lipidmaps.org/databases/lmsd/LMST04010049

$$$$