LMST05010031
  LIPID_MAPS_STRUCTURE_DATABASE

 36 40  0     0  0            999 V2000
   10.5297    7.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5242    9.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6692    9.3092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6779    8.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3886    9.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3850    8.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0952    8.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0989    9.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2453    9.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2347   10.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8280    7.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8280    6.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6779    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5297    6.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9835    8.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1389    7.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1389    6.8575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9835    6.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8280    8.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    6.3699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8154    9.7947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0856   11.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3838   11.2649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3886   10.3015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8154   10.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6661   11.2684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6661   12.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8154   12.7421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9645   12.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9645   11.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5169   12.7421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8154   13.7245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1137   12.7421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1137   10.7773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3677   12.2510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5169   13.7245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  5  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  9 10  1  1  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  1  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  2  0  0  0  0
 11 19  1  1  0  0  0
 17 20  2  0  0  0  0
  3 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  2  0  0  0  0
  5 24  1  1  0  0  0
 25 21  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 25  1  0  0  0  0
 27 31  1  1  0  0  0
 28 32  1  6  0  0  0
 29 33  1  1  0  0  0
 30 34  1  6  0  0  0
 31 35  1  0  0  0  0
 31 36  2  0  0  0  0
M  END
> <LM_ID>
LMST05010031

> <COMMON_NAME>
11-Hydroxyprogesterone 11-glucuronide

> <SYSTEMATIC_NAME>


> <FORMULA>
C27H38O9

> <MASS>
506.25

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroid conjugates [ST05]

> <SUB_CLASS>
Glucuronides [ST0501]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WVTMNZAPPOMZST-UCMXSJKRSA-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-/m1/s1

> <SMILES>
C12CCC3=CC(=O)CC[C@]3(C)C1C(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O1)C[C@]1(C)[C@@H](C(=O)C)CCC21

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0010364

> <CHEBI_ID>
-

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

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42621273

> <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>
-

$$$$