LMST05010045
  LIPID_MAPS_STRUCTURE_DATABASE

 36 40  0     0  0            999 V2000
   10.4681    9.2647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6264    8.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7800    9.2647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6264    7.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9426    8.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7800    7.3271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4681    7.3271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9426    7.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2121    9.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7800    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1141    7.3271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3992   10.3648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    9.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7146   10.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7091   12.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8499   12.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8586   11.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5775   12.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5740   11.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2925   11.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2960   12.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4385   12.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7118   11.7253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5461   13.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5729   10.2878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0045   10.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0045    9.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8586    9.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7146    9.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1559   11.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3073   10.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3073    9.7720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1559    9.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0045   11.7316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8586   10.2638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4419   13.7217    0.0000 O   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  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  6  0  0  0
  5  8  1  0  0  0  0
  5  9  1  1  0  0  0
  6 10  1  1  0  0  0
  8 11  1  6  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
  6  8  1  0  0  0  0
 14 17  1  0  0  0  0
 14 19  1  0  0  0  0
 18 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
 19 20  1  0  0  0  0
 14 23  1  1  0  0  0
 18 24  1  1  0  0  0
 19 25  1  6  0  0  0
 17 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 14  1  0  0  0  0
 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 27  1  0  0  0  0
 26 34  1  1  0  0  0
 17 35  1  6  0  0  0
 32  1  1  1  0  0  0
 22 36  2  0  0  0  0
M  END
> <LM_ID>
LMST05010045

> <COMMON_NAME>
Dehydroepiandrosterone 3-glucuronide

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H36O8

> <MASS>
464.24

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroid conjugates [ST05]

> <SUB_CLASS>
Glucuronides [ST0501]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GLONBVCUAVPJFV-PCDHEYSGSA-N

> <INCHI>
InChI=1S/C25H36O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h3,13-16,18-21,23,27-29H,4-11H2,1-2H3,(H,30,31)/t13-,14-,15-,16-,18-,19-,20+,21-,23+,24-,25-/m0/s1

> <SMILES>
O([C@@H]1CC2=CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]2(C)CC1)[C@H]1[C@H](O)[C@H]([C@H](O)[C@@H](C(=O)O)O1)O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0010348

> <CHEBI_ID>
68834

> <ABBREVIATION>
ST 19:2;O2;GlcA

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
470824

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Sterol Lipids [ST]

> <ALT_MAIN_CLASSES>
Steroids [ST02]

> <ALT_SUB_CLASSES>
C19 steroids (androgens) and derivatives [ST0202]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$