LMST05020027
  LIPID_MAPS_STRUCTURE_DATABASE

 42 45  0     0  0            999 V2000
   12.9496    8.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9440   10.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0877   10.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0963    9.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8095   10.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8061    9.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5188    9.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5224   10.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6676   10.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8285   11.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6572   11.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2452    8.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2452    7.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0963    7.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9496    7.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995    9.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5536    8.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5536    7.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995    7.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2452    9.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7080    7.3517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5091   12.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8049   12.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8061    8.3317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3614   11.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2134   12.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0656   11.7621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6572   12.7461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5186   11.2939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0963    8.3228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9496    9.8005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2452    6.8486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2134   13.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7241    7.3517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7241    6.3677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7241    8.3356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7401    7.3517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9440   11.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4520   12.6306    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6000   12.1387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3042   13.1226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9601   13.4828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0     0  0
  1  6  1  0     0  0
  5  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  5  6  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9  5  1  0     0  0
  6  7  1  0     0  0
  5 10  1  1     0  0
  9 11  1  0     0  0
  4 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15  1  1  0     0  0
 12 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 13  1  0     0  0
 12 20  1  1     0  0
 18 21  1  6     0  0
 11 22  1  0     0  0
 11 23  1  6     0  0
  6 24  1  6     0  0
 22 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 11 28  1  1     0  0
  9 29  1  6     0  0
  4 30  1  6     0  0
  1 31  1  1     0  0
 13 32  1  1     0  0
 26 33  2  0     0  0
 21 34  1  0     0  0
 34 35  2  0     0  0
 34 36  2  0     0  0
 34 37  1  0     0  0
  2 38  1  6     0  0
 38 39  1  0     0  0
 39 40  2  0     0  0
 39 41  2  0     0  0
 39 42  1  0     0  0
M  END
> <LM_ID>
LMST05020027

> <COMMON_NAME>
Deoxycholic acid disulfate

> <SYSTEMATIC_NAME>
3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid 3,12-disulfate

> <FORMULA>
C24H40O10S2

> <MASS>
552.21

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroid conjugates [ST05]

> <SUB_CLASS>
Sulfates [ST0502]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
HMDB0000659

> <YMDB_ID>
-

> <CHEBI_ID>
166728

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
457190

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://www.lipidmaps.org/databases/lmsd/LMST05020027

$$$$