LMST04030227
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
    9.6354    7.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6297    9.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7330    9.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7421    8.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5359    9.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5323    8.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3256    8.4408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3292    9.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4343   10.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6354    8.7864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5359   10.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4232   11.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3153   11.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4232   11.7908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1893   11.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0667   11.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9408   11.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8180   11.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5323    7.6726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9408    9.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8509    7.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8509    6.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7421    6.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6354    6.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9655    8.4358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0800    7.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0800    6.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9655    6.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8509    8.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0709   10.3688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6340   11.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7421    7.6352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6850   10.9981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1836   10.1276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.4031    9.6367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0113   10.6007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6822    9.2571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2112    6.4003    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
  1 10  1  1     0  0
  5 11  1  1     0  0
  9 12  1  0     0  0
 12 13  1  0     0  0
 12 14  1  1     0  0
 13 15  2  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
  6 19  1  6     0  0
 17 20  1  1     0  0
  4 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 24  1  1  0     0  0
 21 25  1  0     0  0
 25 26  2  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 22  2  0     0  0
 21 29  1  1     0  0
  9 30  1  6     0  0
 12 31  1  6     0  0
  4 32  1  6     0  0
 18 33  1  0     0  0
 33 34  1  0     0  0
 34 35  2  0     0  0
 34 36  2  0     0  0
 34 37  1  0     0  0
 27 38  2  0     0  0
M  END
> <LM_ID>
LMST04030227

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(25S)-3-oxo-cholest-1,4,22E-trien-26-sulfate

> <FORMULA>
C27H40O5S

> <MASS>
476.26

> <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>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171118705

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST04030227

$$$$