LMST02020140
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0     0  0            999 V2000
    7.2479   -4.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1078   -5.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1078   -6.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2479   -6.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3881   -6.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3881   -5.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9677   -4.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8275   -5.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8275   -6.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9677   -6.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9676   -3.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8274   -3.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6873   -3.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6873   -4.5423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5472   -3.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4071   -3.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4072   -4.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5283   -6.5281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1078   -4.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6873   -2.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8275   -4.0458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542   -2.1689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829   -6.7019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9429   -5.3367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2669   -3.0528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6873   -5.5351    0.0000 H   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
  5 18  2  0     0  0
  2 19  1  1     0  0
 13 20  1  1     0  0
  8 21  1  1     0  0
 15 22  2  0     0  0
  3 23  1  1     0  0
  7 24  1  6     0  0
 16 25  1  6     0  0
 14 26  1  6     0  0
M  END
> <LM_ID>
LMST02020140

> <COMMON_NAME>
5beta-androstan-16alpha-ol-3,17-dione

> <SYSTEMATIC_NAME>
5beta-androstan-16alpha-hydroxy-3,17dione

> <FORMULA>
C19H28O3

> <MASS>
304.20

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MDQFKXIJYUNEPZ-SYWZCIBCSA-N

> <INCHI>
InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h11,13-16,21H,3-10H2,1-2H3/t11-,13-,14+,15+,16-,18+,19+/m1/s1

> <SMILES>
C1CC(=O)C[C@@]2([H])CC[C@@]3([H])[C@]4([H])C[C@@H](O)C(=O)[C@@]4(C)CC[C@]3([H])[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 19:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14469760

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
-

$$$$