LMST02020141
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0     0  0            999 V2000
    7.2752   -4.5595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1383   -5.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1383   -6.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2752   -6.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4122   -6.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4122   -5.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0015   -4.5595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8645   -5.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8645   -6.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0015   -6.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0014   -3.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8644   -3.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7276   -3.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7276   -4.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5907   -3.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4538   -3.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4539   -4.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5491   -6.5527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1383   -4.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7276   -2.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8645   -4.0610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5977   -2.1771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1133   -6.7271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9766   -5.3568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3169   -3.0643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7276   -5.5560    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  6     0  0
  7 24  1  6     0  0
 16 25  1  6     0  0
 14 26  1  6     0  0
M  END
> <LM_ID>
LMST02020141

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

> <SYSTEMATIC_NAME>
5alpha-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-KCZLXDGBSA-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-/m0/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>
14469759

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
-

$$$$