Ketcher 08221617212D 1   1.00000     0.00000     0

 14 14  0     1  0            999 V2000
    9.0823  -13.4841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0823  -12.4841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2163  -13.9841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2163  -11.9841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3503  -13.4841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3503  -12.4841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2163  -10.9841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9484  -11.9841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2163  -14.9841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0824  -15.4841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9484  -14.9841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8144  -15.4841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9484  -13.9841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0824  -16.4841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0     0  0
  3  1  1  0     0  0
  4  2  1  0     0  0
  5  3  1  0     0  0
  6  4  1  0     0  0
  6  5  2  0     0  0
  7  4  2  0     0  0
  8  2  1  0     0  0
  9  3  1  0     0  0
 10  9  1  0     0  0
 12 11  1  0     0  0
 13 11  2  0     0  0
 10 11  1  0     0  0
 10 14  1  1     0  0
M  CHG  2  12  -1  14   1
M  END
> <ID>
CHEBI:77689

> <NAME>
L-mimosine zwitterion

> <DEFINITION>
An amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of L-mimosine; major microspecies at pH 7.3 (according to Marvin v 6.2.0.).

> <STAR>
3

> <SYNONYM>
L-mimosine

> <IUPAC_NAME>
(2S)-2-azaniumyl-3-(3-hydroxy-4-oxopyridin-1(4H)-yl)propanoate

> <FORMULA>
C8H10N2O4

> <MASS>
198.176

> <MONOISOTOPIC_MASS>
198.06406

> <CHARGE>
0

> <SMILES>
C1=C(C(C=CN1C[C@@H](C([O-])=O)[NH3+])=O)O

> <INCHI>
InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/t5-/m0/s1

> <INCHIKEY>
WZNJWVWKTVETCG-YFKPBYRVSA-N

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