LMST02020116
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.4910    7.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9134    7.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4553    6.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1678    6.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1678    9.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4553    8.6404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6629    7.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1465    8.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8803    8.6404    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8803    9.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1320    6.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6629    8.8947    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1678    7.4061    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5059    6.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1678    8.2289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0743    9.6073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.6636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8803    7.8175    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8803    6.9947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4553    7.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9588    7.3953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    7.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8800    7.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9283    6.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1412    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 22  1  0  0  0  0
  2 11  1  0  0  0  0
 11 24  2  0  0  0  0
 24 14  1  0  0  0  0
 22 14  2  0  0  0  0
 14  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 13  1  0  0  0  0
  6 20  1  0  0  0  0
 20 13  1  0  0  0  0
 13 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
 12  9  1  0  0  0  0
  9 18  1  0  0  0  0
 18  7  1  0  0  0  0
 12  8  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  1  0  0  0
 11 17  1  0  0  0  0
 12 16  1  1  0  0  0
 13 15  1  1  0  0  0
 18 19  1  6  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <LM_ID>
LMST02020116

> <COMMON_NAME>
3,4,17-trihydroxy-9,10-seco-androsta-1,3,5(10)-triene-9-one

> <SYSTEMATIC_NAME>
3,4,17beta-trihydroxy-9,10-seco-androsta-1,3,5(10)-triene-9-one

> <FORMULA>
C19H26O4

> <MASS>
318.18

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XRMKFJVUFYGENU-IPQUUHLSSA-N

> <INCHI>
InChI=1S/C19H26O4/c1-11-3-7-16(21)18(23)12(11)4-5-13-14-6-8-17(22)19(14,2)10-9-15(13)20/h3,7,13-14,17,21-23H,4-6,8-10H2,1-2H3/t13-,14-,17-,19-/m0/s1

> <SMILES>
C1C(C)=C(CC[C@@]2([H])[C@]3([H])CC[C@H](O)[C@@]3(C)CCC2=O)C(O)=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 19:3;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000485321

> <PUBCHEM_COMPOUND_ID>
73242223

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
465721

> <CITATION>
23458847

$$$$