Mol:PBX00068

 
 OpenBabel10130914012D 
 
 16 17  0  0  0  0  0  0  0  0999 V2000 
    3.4497   -4.2038    0.0000 C   0  0  0  0  0 
    3.4497   -5.5355    0.0000 C   0  0  0  0  0 
    2.3105   -3.5620    0.0000 C   0  0  0  0  0 
    2.3105   -6.2254    0.0000 C   0  0  0  0  0 
    1.1552   -4.2359    0.0000 C   0  0  0  0  0 
    1.1552   -5.5676    0.0000 C   0  0  0  0  0 
    4.7172   -3.8026    0.0000 C   0  0  0  0  0 
    5.5034   -4.8777    0.0000 C   0  0  0  0  0 
    4.7172   -5.9527    0.0000 N   0  0  0  0  0 
    0.0000   -3.5620    0.0000 O   0  0  0  0  0 
    5.1504   -2.5511    0.0000 C   0  0  0  0  0 
    6.4501   -2.2784    0.0000 C   0  0  0  0  0 
    6.8672   -1.0108    0.0000 C   0  0  0  0  0 
    7.3486   -3.2411    0.0000 N   0  0  0  0  0 
    5.9687    0.0000    0.0000 O   0  0  0  0  0 
    8.1508   -0.7060    0.0000 O   0  0  0  0  0 
  1  2  1  0  0  0 
  1  3  2  0  0  0 
  1  7  1  0  0  0 
  2  4  2  0  0  0 
  2  9  1  0  0  0 
  3  5  1  0  0  0 
  4  6  1  0  0  0 
  5  6  2  0  0  0 
  5 10  1  0  0  0 
  7  8  2  0  0  0 
  7 11  1  0  0  0 
  8  9  1  0  0  0 
 11 12  1  0  0  0 
 12 13  1  0  0  0 
 12 14  1  0  0  0 
 13 15  2  0  0  0 
 13 16  1  0  0  0 
S  SKP  6 
NAME	5-Hydroxytryptophan 
ID	PBX00068 
FORMULA	C11H12N2O3 
EXACTMASS	220.08479226 
AVERAGEMASS	220.22466000000003 
SMILES	OC(=O)C(N)Cc(c1)c(c2)c(ccc(O)2)n1 
M  END