LMST02010054
  LIPID_MAPS_STRUCTURE_DATABASE

 24 27  0     0  0            999 V2000
    7.5986    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5986    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4647    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4647    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3306    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0628    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0628    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9287    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8798    8.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4676    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8798    9.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1888   10.6207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9287    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9287   10.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0628    9.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3306    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967    7.3606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0628    8.8606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9287    7.3606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3307    9.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
  1  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  9 19  1  0  0  0  0
 19 20  1  0  0  0  0
  4 20  1  0  0  0  0
  6 20  2  0  0  0  0
 19 21  1  6  0  0  0
  9 22  1  1  0  0  0
 10 23  1  6  0  0  0
 18 24  1  1     0  0
M  END
> <LM_ID>
LMST02010054

> <COMMON_NAME>
11beta-hydroxyestrone

> <SYSTEMATIC_NAME>
3,11beta-dihydroxy-1,3,5(10)-estratrien-17-one

> <FORMULA>
C18H22O3

> <MASS>
286.16

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IGSYRIQHXYIOHU-YDRHNJASSA-N

> <INCHI>
InChI=1S/C18H22O3/c1-18-9-15(20)17-12-5-3-11(19)8-10(12)2-4-13(17)14(18)6-7-16(18)21/h3,5,8,13-15,17,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15-,17+,18-/m0/s1

> <SMILES>
C1(=CC2=C(C=C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](C[C@@H]1O)(C)C(=O)CC3)CC2)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 18:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13324930

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
-

$$$$