LMST05020040
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0     0  0            999 V2000
    2.9900   -1.9931    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6215    3.2967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9937   -0.9965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0099    1.0881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9861   -2.9898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9933   -1.9893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9866   -1.9970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3688    1.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3688    2.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5056    0.5506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6426    1.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5056    2.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3119    0.7453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6426    2.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5217   -0.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3119    2.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8936    1.5473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3688    3.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7357    0.5438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6266   -1.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7275   -0.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8118    1.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7953   -1.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8672    0.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8588   -0.5015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6295    0.2382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2835    0.1926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5056    1.3653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  2 16  2  0  0  0  0
  3 25  1  0  0  0  0
  4 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
  9 16  1  0  0  0  0
  9 18  1  1  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 11 19  1  0  0  0  0
 12 14  1  0  0  0  0
 13 17  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 21  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  2  0  0  0  0
 11 26  1  6     0  0
  8 27  1  6     0  0
 10 28  1  1     0  0
M  END
> <LM_ID>
LMST05020040

> <COMMON_NAME>
2-hydroxyestrone sulfate

> <SYSTEMATIC_NAME>
[(13S)-2-hydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate

> <FORMULA>
C18H22O6S

> <MASS>
366.11

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroid conjugates [ST05]

> <SUB_CLASS>
Sulfates [ST0502]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
20758695

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST05020040

$$$$