Ketcher 02161810052D 1   1.00000     0.00000     0

 23 24  0     1  0            999 V2000
   16.5470   -4.2772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7429   -4.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0500   -5.8066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0439   -5.8066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3509   -4.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2234   -4.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6280   -6.6107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4658   -6.6107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7975   -4.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0590   -5.2194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7939   -3.8676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7939   -4.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9331   -5.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9331   -6.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0724   -6.8493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7939   -6.8493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0724   -4.8615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.7939   -1.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9332   -2.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9332   -3.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6546   -3.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6546   -2.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2116   -5.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  1  5  1  0     0  0
  5  6  1  0     0  0
  4  7  1  1     0  0
  3  8  1  6     0  0
  2  9  1  1     0  0
  9 10  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 14 16  2  0     0  0
 13 17  1  1     0  0
 20 11  2  0     0  0
 11 21  1  0     0  0
 18 19  2  0     0  0
 19 20  1  0     0  0
 21 22  2  0     0  0
 18 22  1  0     0  0
 17 23  1  0     0  0
 23  5  1  0     0  0
M  END
> <ID>
CHEBI:136561

> <NAME>
N-(1-deoxy-1-fructosyl)phenylalanine

> <DEFINITION>
An L-phenylalanine derivative in which one of the amino hydrogens of L-phenylalanine has been replaced by a 1-fructosyl group.

> <STAR>
3

> <SYNONYM>
N-(D-fructos-1-yl)phenylalanine; N-(D-fructos-1-yl)-L-phenylalanine; N-(1-deoxy-1-fructosyl)-L-phenylalanine; (2S)-3-phenyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acid

> <FORMULA>
C15H21NO7

> <MASS>
327.330

> <MONOISOTOPIC_MASS>
327.13180

> <CHARGE>
0

> <SMILES>
O1[C@@H]([C@H]([C@@H](C1(O)CN[C@@H](CC2=CC=CC=C2)C(O)=O)O)O)CO

> <INCHI>
InChI=1S/C15H21NO7/c17-7-11-12(18)13(19)15(22,23-11)8-16-10(14(20)21)6-9-4-2-1-3-5-9/h1-5,10-13,16-19,22H,6-8H2,(H,20,21)/t10-,11+,12+,13-,15?/m0/s1

> <INCHIKEY>
FAVRCIXPIVJIPN-VJDSNFAGSA-N

> <REAXYS_REGISTRY_NUMBER>
8348487

$$$$