LMST02020149
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0  0  0  0  0  0  0  0999 V2000
    9.6585   -9.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7541   -9.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7541  -10.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6585  -11.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5630  -10.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4675  -11.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3721  -10.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3721   -9.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4675   -9.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5630   -9.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4675   -8.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3721   -7.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2765   -8.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2765   -9.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0856   -9.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0856   -8.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1811   -7.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2765   -7.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5630   -8.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5630  -11.3953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1070  -11.0749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5847   -7.5807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1811   -6.7995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3721   -8.7692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4477  -10.0132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2765   -9.9452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 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 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  1  0  0  0
  5 20  1  1  0  0  0
  3 21  1  6  0  0  0
 11 22  1  1  0  0  0
 17 23  2  0  0  0  0
  8 24  1  1  0  0  0
  9 25  1  6  0  0  0
 14 26  1  6  0  0  0
M  END
> <LM_ID>
LMST02020149

> <COMMON_NAME>
11beta-Hydroxyetiocholanolone

> <SYSTEMATIC_NAME>
3alpha,11beta-dihydroxy-5beta-androstan-17-one

> <FORMULA>
C19H30O3

> <MASS>
306.22

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PIXFHVWJOVNKQK-DLAZEALESA-N

> <INCHI>
InChI=1S/C19H30O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-15,17,20-21H,3-10H2,1-2H3/t11-,12-,13+,14+,15+,17-,18+,19+/m1/s1

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

> <KEGG_ID>
C14553

> <HMDB_ID>
-

> <CHEBI_ID>
34351

> <ABBREVIATION>
ST 19:1;O3

> <CAYMAN_ID>
33190

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101849

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
12981019

$$$$