-OEChem-02171214062D

 35 36  0     1  0  0  0  0  0999 V2000
   -0.7145   -1.6500    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.8250    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.6500    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5307    1.5534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7561    1.5534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7645   -1.1662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2869    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0933    1.1662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2869    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 15  1  0  0  0  0
  5 19  1  0  0  0  0
  6 18  1  0  0  0  0
  6 34  1  0  0  0  0
  7 18  2  0  0  0  0
  8 24  1  0  0  0  0
  8 35  1  0  0  0  0
 11  9  1  1  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 18  1  0  0  0  0
 11 27  1  6  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 28  1  0  0  0  0
 14 16  2  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 23  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
126523112

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
811

> <PUBCHEM_EXT_DATASOURCE_REGID>
HMDB00248

> <PUBCHEM_SUBSTANCE_COMMENT>
Disorders: Anorexia nervosa, Hypothyroidism, Proteinuria
Biofluids: Blood, Saliva, Urine

> <PUBCHEM_SUBSTANCE_SYNONYM>
(-)-Thyroxine
3,3',5,5''-Tetraiodo-L-thyronine
3,3',5,5'-Tetraiodo-L-thyronine
3,5,3',5'-Tetraiodo-L-Thyronine
3,5,3',5'-Tetraiodothyronine
3,5,3'5'-Tetraiodo-L-thyronine
DL-Thyroxin
HMDB00248
Henning
L-3,5,3',5'-Tetraiodothyronine
L-Thyroxin
L-Thyroxine
Laevothyroxinum
Levothroid
Levothyroxin
Levothyroxine
Levothyroxine sodium
Levothyroxinum
Levoxyl
Prestwick_548
Synthroid
T4
THX
Tetraiodothyronine
Tetramet
Thyratabs
Thyrax
Thyreoideum
Thyroxin
Thyroxinal
Thyroxine
Thyroxine I 125
Thyroxine iodine
d-Thyroxine

> <PUBCHEM_XREF_EXT_ID>
HMDB00248

> <PUBCHEM_PUBMED_ID>
82781
424113
683777
717839
807668
2338121
7041647
7365515
8020061
9451592
9532653
9729372
11913969
12030913
12193297
15179829
15767619
16350585
16392619

> <PUBCHEM_EXT_DATASOURCE_URL>
http://hmdb.ca

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://hmdb.ca/metabolites/HMDB00248

> <PUBCHEM_CID_ASSOCIATIONS>
5819  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
11  27  6
11  9  5

$$$$