LMST02020114
  LIPID_MAPS_STRUCTURE_DATABASE

 24 27  0  0  0  0  0  0  0  0999 V2000
    6.6220    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9076    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6220    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0510    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7654    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7654    8.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0510    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2645    6.6426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7494    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3365    6.4850    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3365    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4799    7.7225    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4799    8.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9076    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2645    7.9775    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7654    6.4850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3365    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0510    6.8975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7654    7.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6770    8.6920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4799    6.8975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4799    6.0725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0510    6.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 10  1  0  0  0  0
  2 14  1  0  0  0  0
 14  3  1  0  0  0  0
  3 17  2  0  0  0  0
 18 10  1  0  0  0  0
 10 17  1  0  0  0  0
 17  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 16  1  0  0  0  0
  7 18  1  0  0  0  0
 18 16  1  0  0  0  0
 16 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
 15 12  1  0  0  0  0
 12 22  1  0  0  0  0
 22  8  1  0  0  0  0
 15  9  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  1  0  0  0
 12 13  1  1  0  0  0
 14 21  2  0  0  0  0
 15 20  1  1  0  0  0
 16 19  1  1  0  0  0
 18 24  1  6  0  0  0
 22 23  1  6  0  0  0
M  END
> <LM_ID>
LMST02020114

> <COMMON_NAME>
9,17-hydroxy-androsta-1,4-dien-3-one

> <SYSTEMATIC_NAME>
9,17beta-hydroxy-androsta-1,4-dien-3-one

> <FORMULA>
C19H26O3

> <MASS>
302.19

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BDTCDYJFOLOAGO-KOUJMVCDSA-N

> <INCHI>
InChI=1S/C19H26O3/c1-17-9-10-19(22)15(14(17)5-6-16(17)21)4-3-12-11-13(20)7-8-18(12,19)2/h7-8,11,14-16,21-22H,3-6,9-10H2,1-2H3/t14-,15-,16-,17-,18-,19+/m0/s1

> <SMILES>
C1[C@@]2(C)C(CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]23O)=CC(=O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
173053

> <ABBREVIATION>
ST 19:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
73242221

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
465721

> <CITATION>
23458847

$$$$