LMST05010013
  LIPID_MAPS_STRUCTURE_DATABASE

 37 41  0     0  0            999 V2000
    8.4529    8.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4529    7.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3151    7.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1724    7.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1724    8.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3151    9.3426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4749   10.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6502   11.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2872   11.3783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4790    9.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8372   10.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6461   12.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2829   12.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9375   11.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6586    9.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8414    9.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0125   11.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7746   12.0469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4623   12.7872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1045   12.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2070   13.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9292   12.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0250    9.4666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1960   10.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1002   13.7815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2003    9.9353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1716    9.4156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4707   11.8907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6461   10.3882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2829   10.4016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8414    8.9668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3164    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5929    9.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5929    7.3541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0329    7.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5934   10.3371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.8441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  1  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  1  0  0  0
 14 22  1  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 20 25  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  6  0  0  0
 13 19  1  0  0  0  0
 15 16  1  0  0  0  0
 20 22  1  0  0  0  0
 24 26  1  0  0  0  0
  7 28  1  1  0  0  0
  8 29  1  6  0  0  0
  9 30  1  6  0  0  0
 16 31  1  6  0  0  0
  5 27  1  1  0  0  0
  4  5  1  0  0  0  0
  3 32  1  1  0  0  0
  5  6  1  0  0  0  0
  1 33  1  1  0  0  0
  6  1  1  0  0  0  0
  2 34  1  6  0  0  0
  4 35  1  6  0  0  0
  1  2  1  0  0  0  0
 33 36  2  0  0  0  0
  2  3  1  0  0  0  0
 33 37  1  0  0  0  0
M  END
> <LM_ID>
LMST05010013

> <COMMON_NAME>
Androsterone 3-glucuronide

> <SYSTEMATIC_NAME>
3alpha-hydroxy-5alpha-androstan-17-one 3-D-glucuronide

> <FORMULA>
C25H38O8

> <MASS>
466.26

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroid conjugates [ST05]

> <SUB_CLASS>
Glucuronides [ST0501]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VFUIRAVTUVCQTF-BSOWLZGZSA-N

> <INCHI>
InChI=1S/C25H38O8/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/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,18-,19-,20+,21-,23+,24-,25-/m0/s1

> <SMILES>
[C@H]1([C@H]([C@H](O)[C@@H](O)[C@@H](O1)O[C@@H]1CC[C@@]2(C)[C@@]([H])(CC[C@@]3([H])[C@]4([H])CCC(=O)[C@]4(CC[C@@]32[H])C)C1)O)C(O)=O

> <KEGG_ID>
C11135

> <HMDB_ID>
HMDB0002829

> <CHEBI_ID>
28832

> <ABBREVIATION>
ST 19:1;O2;GlcA

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
114833

> <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>
-

$$$$