Marvin  11010614362D          

 13 13  0  0  1  0            999 V2000
    1.8098    1.4608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8098    0.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5243    0.2233    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0953    0.2233    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0953   -0.6017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3809    0.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3336    0.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3336   -0.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0481    0.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    0.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0481   -1.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625   -0.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4770   -1.0142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  6  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11  8  2  0  0  0  0
 12 10  2  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  0  0  0  0
M  CHG  1   3  -1
M  END
> <ID>
CHEBI:32773

> <NAME>
D-tyrosinate(1-)

> <DEFINITION>
An optically active form of tyrosinate(1−) having D-configuration.

> <STAR>
3

> <SYNONYM>
D-tyrosine monoanion; D-tyrosinate(1-); (2R)-2-amino-3-(4-hydroxyphenyl)propanoate

> <IUPAC_NAME>
hydrogen D-tyrosinate

> <FORMULA>
C9H10NO3

> <MASS>
180.18064

> <MONOISOTOPIC_MASS>
180.06662

> <CHARGE>
-1

> <SMILES>
N[C@H](Cc1ccc(O)cc1)C([O-])=O

> <INCHI>
InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p-1/t8-/m1/s1

> <INCHIKEY>
OUYCCCASQSFEME-MRVPVSSYSA-M

> <GMELIN_REGISTRY_NUMBER>
1484464

$$$$