LMST05020044
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0     0  0            999 V2000
   12.8509  -13.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8522  -14.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9850  -13.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1199  -14.1479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1212  -15.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9876  -15.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8536  -15.1461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8549  -16.1465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7208  -15.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5867  -15.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5854  -14.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7181  -13.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7168  -12.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5827  -12.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4499  -12.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4511  -13.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4032  -13.9499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9896  -13.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4010  -12.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7090  -11.3791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4981  -11.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2554  -15.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3883  -15.1507    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.8893  -16.0178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8874  -14.2835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5212  -14.6516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7181  -14.6447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4511  -14.6424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5854  -13.1428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 12  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
  5 22  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  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
 15 19  1  0  0  0  0
 15 21  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 24 23  2  0  0  0  0
 25 23  2  0  0  0  0
 26 23  1  0  0  0  0
 22 23  1  0  0  0  0
 12 27  1  6     0  0
 16 28  1  6     0  0
 11 29  1  1     0  0
M  END
> <LM_ID>
LMST05020044

> <COMMON_NAME>
Etiocholanolone sulfate

> <SYSTEMATIC_NAME>
[(2S,5R,7R,15S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxidanesulfonic acid

> <FORMULA>
C19H30O5S

> <MASS>
370.18

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroid conjugates [ST05]

> <SUB_CLASS>
Sulfates [ST0502]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
HMDB0013232

> <YMDB_ID>
-

> <CHEBI_ID>
166770

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9907417

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://dev.lipidmaps.org/databases/lmsd/LMST05020044

$$$$