LMST05010073
  LIPID_MAPS_STRUCTURE_DATABASE

 39 43  0     0  0            999 V2000
   10.7195    3.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5920    3.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5920    2.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7195    1.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8472    2.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8472    3.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4643    3.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3366    3.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3366    2.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4642    1.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4643    4.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3366    5.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2090    4.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2090    3.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0814    5.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9537    4.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9537    3.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9750    1.6959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0814    6.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9536    6.7324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2091    6.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2090    5.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5920    4.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3219    2.9415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4124    2.9322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3625    3.9334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5920    1.4679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9608   -0.3055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2202   -1.2940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4991   -0.2811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2414    1.7081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7459    1.0784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1074    1.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1003    0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2272   -0.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3668    0.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3739    1.2137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5133    1.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4312    2.7169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  2  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  3  1  0     0  0
  7 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14  8  1  0     0  0
 13 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 14 17  1  0     0  0
  5 18  1  6     0  0
 15 19  1  1     0  0
 19 20  1  6     0  0
 19 21  1  0     0  0
 13 22  1  1     0  0
  2 23  1  1     0  0
 14 24  1  6     0  0
  7 25  1  6     0  0
  8 26  1  1     0  0
  3 27  1  1     0  0
 32 38  1  0     0  0
 37 31  1  0     0  0
 31 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 37 38  1  1     0  0
 33 18  1  1     0  0
 34 28  1  6     0  0
 35 29  1  1     0  0
 36 30  1  6     0  0
 38 39  2  0     0  0
M  END
> <LM_ID>
LMST05010073

> <COMMON_NAME>
Pregnanediol-3-glucuronide

> <SYSTEMATIC_NAME>
5beta-Pregnane-3alpha,20alpha-diol-3alpha-glucuronide

> <FORMULA>
C27H44O8

> <MASS>
496.30

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroid conjugates [ST05]

> <SUB_CLASS>
Glucuronides [ST0501]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
88765

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
123796

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST05010073

$$$$