1GYY_FHC_A_500
  RCSB PDB12061702393D
Coordinates from PDB:1GYY:A:500 Model:1 without hydrogens
 13 13  0  0  0  0            999 V2000
   12.1640    2.4570   -4.4480   C 0  0  0  0  0  0  0  0  0  0  0  0
   12.4360    1.4470   -3.4280   C 0  0  0  0  0  0  0  0  0  0  0  0
   13.4880    1.3100   -2.6160   C 0  0  0  0  0  0  0  0  0  0  0  0
   14.6510    2.1900   -2.5690   C 0  0  0  0  0  0  0  0  0  0  0  0
   15.7850    1.7830   -2.4520   O 0  0  0  0  0  0  0  0  0  0  0  0
   14.3920    3.5010   -2.7030   O 0  5  0  0  0  0  0  0  0  0  0  0
   13.5340    0.2590   -1.7540   F 0  0  0  0  0  0  0  0  0  0  0  0
   13.1750    2.9500   -5.2850   C 0  0  0  0  0  0  0  0  0  0  0  0
   12.9230    3.8910   -6.2590   C 0  0  0  0  0  0  0  0  0  0  0  0
   11.6220    4.3610   -6.4280   C 0  0  0  0  0  0  0  0  0  0  0  0
   11.3540    5.3150   -7.3740   O 0  0  0  0  0  0  0  0  0  0  0  0
   10.6230    3.8720   -5.6120   C 0  0  0  0  0  0  0  0  0  0  0  0
   10.8590    2.9250   -4.6370   C 0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1 13  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
M  CHG  1   6  -1
A    1
C1
A    2
C7
A    3
C8
A    4
C9
A    5
O3
A    6
O2
A    7
F1
A    8
C6
A    9
C5
A   10
C4
A   11
O1
A   12
C3
A   13
C2
M  END
>  <InstanceId>
1GYY_FHC_A_500

>  <ChemCompId>
FHC

>  <PdbId>
1GYY

>  <ChainId>
A

>  <ResidueNumber>
500

>  <InsertionCode>


>  <Model>
1

>  <AltIds>


>  <MissingHeavyAtoms>
0

>  <ObservedFormula>
C9 O3 F

>  <Name>
2-FLUORO-3-(4-HYDROXYPHENYL)-2E-PROPENEOATE

>  <SystematicName>
(E)-2-fluoro-3-(4-hydroxyphenyl)prop-2-enoate

>  <Synonyms>
(E)-2-FLUORO-P-HYDROXYCINNAMATE

>  <Type>
NON-POLYMER

>  <Formula>
C9 H6 F O3

>  <MolecularWeight>
181.141

>  <ModifiedDate>
2011-06-04

>  <Parent>


>  <OneLetterCode>


>  <SubcomponentList>


>  <AmbiguousFlag>
N

>  <InChI>
InChI=1S/C9H7FO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-5,11H,(H,12,13)/p-1/b8-5+

>  <InChIKey>
SBIZDOWXYPNTOJ-VMPITWQZSA-M

>  <SMILES>
c1cc(ccc1\C=C(/C(=O)[O-])\F)O

$$$$
