LMST02010042
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.9834    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268    8.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    8.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6259    7.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1108    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    6.0725    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6259    8.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8808    9.1745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6979    6.8975    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6979    7.7225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6979    6.0725    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6979    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8413    7.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8413    8.1350    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8413    8.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8413    6.4850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    7.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4123    6.4850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268    6.8975    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1268    7.7225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  2 10  1  0  0  0  0
 10  3  1  0  0  0  0
  3 16  1  0  0  0  0
 22 14  1  0  0  0  0
 14 16  1  0  0  0  0
 16  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 24  1  0  0  0  0
 24 18  1  0  0  0  0
 22 24  1  0  0  0  0
  7 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
 11 19  1  0  0  0  0
 19 18  1  0  0  0  0
 18  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  6  0  0  0
 11 12  2  0  0  0  0
 14 15  1  1  0  0  0
 16 17  1  6  0  0  0
 18 21  1  6  0  0  0
 19 20  1  1  0  0  0
 22 23  1  6  0  0  0
 24 25  1  1  0  0  0
M  END
> <LM_ID>
LMST02010042

> <COMMON_NAME>
19-norandrosterone

> <SYSTEMATIC_NAME>
3alpha-hydroxy-5alpha-estran-17-one

> <FORMULA>
C18H28O2

> <MASS>
276.21

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

> <SUB_CLASS>
C18 steroids (estrogens) and derivatives [ST0201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
19-Noreoiandrosterone; 19-Noretiocholanolone

> <INCHI_KEY>
UOUIARGWRPHDBX-CQZDKXCPSA-N

> <INCHI>
InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-16,19H,2-10H2,1H3/t11-,12+,13-,14+,15+,16-,18-/m0/s1

> <SMILES>
C1[C@@]2([H])[C@@]([H])(CC[C@]3([H])[C@]2([H])CC[C@@]2(C)[C@@]3([H])CCC2=O)C[C@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
36412

> <ABBREVIATION>
ST 18:1;O2

> <CAYMAN_ID>
22683

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9548753

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$