LMST02020123
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0     0  0            999 V2000
    6.0855   -1.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9301   -1.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9301   -2.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0855   -3.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2409   -2.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2409   -1.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7749   -1.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6197   -1.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6197   -2.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7748   -3.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7749   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6197   -0.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4642   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4642   -1.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3090   -0.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1539   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1539   -1.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4642    0.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9301   -1.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3962   -3.4511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9301   -0.0373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7499   -2.2004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5696   -1.1881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4893   -2.2504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8801   -3.7135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3090    0.9627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  2  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  3  1  0     0  0
  7 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14  8  1  0     0  0
 13 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 14 17  1  0     0  0
 13 18  1  1     0  0
  2 19  1  1     0  0
  5 20  1  6     0  0
 11 21  2  0     0  0
  7 22  1  6     0  0
  8 23  1  1     0  0
 14 24  1  6     0  0
  3 25  1  1     0  0
 15 26  2  0     0  0
M  END
> <LM_ID>
LMST02020123

> <COMMON_NAME>
11-Ketoetiocholanolone

> <SYSTEMATIC_NAME>
5beta-androstan-3-ol-11,17-dione

> <FORMULA>
C19H28O3

> <MASS>
304.20

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3alpha-hydroxy-5beta-androstane-11,17-dione

> <INCHI_KEY>
IUNYGQONJQTULL-UKZLPJRTSA-N

> <INCHI>
InChI=1S/C19H28O3/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/h11-14,17,20H,3-10H2,1-2H3/t11-,12-,13+,14+,17-,18+,19+/m1/s1

> <SMILES>
C1C[C@@H](O)C[C@@]2([H])CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC(=O)[C@]3([H])[C@@]12C

> <KEGG_ID>
C14552

> <HMDB_ID>
-

> <CHEBI_ID>
34135

> <ABBREVIATION>
ST 19:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101850

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
32629108

$$$$