LMST02010007
  LIPID_MAPS_STRUCTURE_DATABASE

 21 24  0     0  0            999 V2000
    8.2347    8.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3590    7.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3590    6.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2347    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1104    6.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9860    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8619    6.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8619    7.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9860    8.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1104    7.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9860    9.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8619    9.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7374    9.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7374    8.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4890    8.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4890    9.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6133    9.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7374   10.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.5047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6133   10.6440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7374    7.5984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  2  0  0  0  0
  9 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
  3 19  1  0  0  0  0
 17 20  2  0  0  0  0
 14 21  1  6  0  0  0
M  END
> <LM_ID>
LMST02010007

> <COMMON_NAME>
Equilenin

> <SYSTEMATIC_NAME>
3-hydroxy-estra-1,3,5(10),6,8-pentaen-17-one

> <FORMULA>
C18H18O2

> <MASS>
266.13

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PDRGHUMCVRDZLQ-WMZOPIPTSA-N

> <INCHI>
InChI=1S/C18H18O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16,19H,6-9H2,1H3/t16-,18-/m0/s1

> <SMILES>
C1C2C3CC[C@]4(C)C(=O)CC[C@@]4([H])C=3C=CC=2C=C(O)C=1

> <KEGG_ID>
C14303

> <HMDB_ID>
-

> <CHEBI_ID>
34739

> <ABBREVIATION>
ST 18:6;O2

> <CAYMAN_ID>
23322

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
444865

> <LIPIDBANK_ID>
SST0063

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9796

> <CITATION>
-

$$$$