Ketcher 11142312002D 1   1.00000     0.00000     0

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  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  4  7  1  0     0  0
  3  8  1  0     0  0
  2  9  1  0     0  0
  9 10  1  0     0  0
  9 11  2  0     0  0
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 12 13  1  0     0  0
 12 14  1  6     0  0
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 17  7  1  1     0  0
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 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 22 17  1  0     0  0
 21 23  1  1     0  0
 19 24  1  1     0  0
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 20 26  1  6     0  0
 23 27  1  0     0  0
M  END
> <ID>
CHEBI:195248

> <NAME>
3-Hydroxykynurenine glucoside

> <DEFINITION>
Primary molecular ultraviolet filter of the human eye lens

> <STAR>
2

> <SYNONYM>
L-3-hydroxykynurenine O-beta-D-glucoside; 3-OHKG

> <FORMULA>
C16H22N2O9

> <MASS>
386.357

> <MONOISOTOPIC_MASS>
386.13253

> <CHARGE>
0

> <SMILES>
C=1C(=C(C(=CC1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)N)C(C[C@H](C(=O)O)N)=O

> <INCHI>
InChI=1S/C16H22N2O9/c17-7(15(24)25)4-8(20)6-2-1-3-9(11(6)18)26-16-14(23)13(22)12(21)10(5-19)27-16/h1-3,7,10,12-14,16,19,21-23H,4-5,17-18H2,(H,24,25)/t7-,10-,12-,13+,14-,16-/m1/s1

> <INCHIKEY>
SYBDIVKHFDAAJV-MBRIVKJESA-N

$$$$