LMST05020020
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.7655    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0509    5.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3365    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6220    5.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9075    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6220    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7655    8.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7495    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2646    6.6426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0509    6.8975    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0509    6.0725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4799    6.8975    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4799    6.0725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7655    6.4850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7655    7.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4799    7.7225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2646    7.9775    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9075    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0509    7.7225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3364    8.1350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2646    8.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5501    9.2150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9791    9.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6936    8.8025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9791    8.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4799    8.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3365    6.4850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3365    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5186    8.8025    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.5186    9.6275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3436    8.8025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5186    7.9775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 14  1  1  0  0  0  0
 14 10  1  0  0  0  0
 14 12  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 28  1  0  0  0  0
  4 18  1  0  0  0  0
 18  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 28  1  0  0  0  0
 28 10  1  0  0  0  0
 10 20  1  0  0  0  0
 20  7  1  0  0  0  0
  7 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 12  1  0  0  0  0
 17  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  6  0  0  0
 12 13  1  6  0  0  0
 14 15  1  1  0  0  0
 17 26  1  6  0  0  0
 17 22  1  0  0  0  0
 22 24  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  1  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 16 27  1  1  0  0  0
 28 29  1  1  0  0  0
 25 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 30 33  2  0  0  0  0
M  END
> <LM_ID>
LMST05020020

> <COMMON_NAME>
cortisol 21-sulfate

> <SYSTEMATIC_NAME>
11beta,17-dihydroxy-3,20-dioxopregn-4-en-21-yl hydrogen sulfate

> <FORMULA>
C21H30O8S

> <MASS>
442.17

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroid conjugates [ST05]

> <SUB_CLASS>
Sulfates [ST0502]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(11beta)-11,17-Dihydroxy-21-(sulfooxy)pregn-4-ene-3,20-dione; 11,17-Dihydroxy-4-pregnene-3,20-dione-21-yl-sulfate; Cortisol 21-sulfate; Cortisol-21-sulfate; cortisol 21-sulfate

> <KEGG_ID>
C02822

> <HMDB_ID>
HMDB0062779

> <YMDB_ID>
-

> <CHEBI_ID>
16473

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
102172

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/index.php/databases/lmsd/LMST05020020

$$$$