LMST05010050
  LIPID_MAPS_STRUCTURE_DATABASE

 39 43  0     0  0            999 V2000
   10.6152    6.8593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7508    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8868    6.8593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0227    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1587    7.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0227    8.3561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8868    7.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6152    9.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7508    8.3561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7508    7.3583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4791    7.3583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6152    7.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6152    8.8550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1587    6.8593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8868    8.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4791   10.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0146    8.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4282    8.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4791    8.3561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4791    9.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4282    9.6622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7365   10.6112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0688   11.3526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7124   10.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7508    9.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8867    9.8525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8867   10.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0226   11.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7508   11.3494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0226   12.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7508   12.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8867   12.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1584   10.8503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1587   12.8462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8867   13.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6150   12.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6150   13.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5720   12.3183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  0  0  0  0
 12  9  1  0  0  0  0
 12 20  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  7  1  0  0  0  0
  4 14  1  0  0  0  0
 14  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  9 26  1  0  0  0  0
 26  8  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  6  0  0  0
 20 11  1  6  0  0  0
 12 13  1  1  0  0  0
 14 15  2  0  0  0  0
  7 16  1  1  0  0  0
 21 17  1  1  0  0  0
 22 23  1  1  0  0  0
 23 25  1  0  0  0  0
 23 24  2  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 18  1  0  0  0  0
 22 21  1  0  0  0  0
 26 27  1  6  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 33  1  0  0  0  0
 28 27  1  1  0  0  0
 29 34  1  6  0  0  0
 31 35  1  1  0  0  0
 33 36  1  6  0  0  0
 32 37  1  1  0  0  0
 38 37  2  0  0  0  0
 39 37  1  0  0  0  0
M  END
> <LM_ID>
LMST05010050

> <COMMON_NAME>
11alpha-hydroxyprogesterone 11-glucosiduronic acid

> <SYSTEMATIC_NAME>
3,20-dioxopregn-4-en-11alpha-yl beta-D-glucopyranosiduronic acid

> <FORMULA>
C27H38O9

> <MASS>
506.25

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroid conjugates [ST05]

> <SUB_CLASS>
Glucuronides [ST0501]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WVTMNZAPPOMZST-RKCIHFDFSA-N

> <INCHI>
InChI=1S/C27H38O9/c1-12(28)16-6-7-17-15-5-4-13-10-14(29)8-9-26(13,2)19(15)18(11-27(16,17)3)35-25-22(32)20(30)21(31)23(36-25)24(33)34/h10,15-23,25,30-32H,4-9,11H2,1-3H3,(H,33,34)/t15-,16+,17-,18+,19+,20-,21-,22+,23-,25+,26-,27+/m0/s1

> <SMILES>
C1CC2[C@@](C)([C@@]3([H])[C@H](O[C@@H]4O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]4O)C[C@@]4([C@H](CC[C@@]4([H])[C@]13[H])C(=O)C)C)CCC(=O)C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
62672

> <ABBREVIATION>
ST 21:3;O3;GlcA

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
53356726

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Sterol Lipids [ST]

> <ALT_MAIN_CLASSES>
Steroids [ST02]

> <ALT_SUB_CLASSES>
C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$