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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 23:06:22 UTC

Update Date

2022-03-07 02:55:32 UTC

HMDB ID

HMDB0037847

Secondary Accession Numbers

HMDB37847

Metabolite Identification

Common Name

N-(1-Deoxy-1-fructosyl)tryptophan

Description

N-(1-Deoxy-1-fructosyl)tryptophan, also known as 1-(N-L-tryptophan)-1-deoxy-D-glucose or TRP-fru, belongs to the class of organic compounds known as tryptamines and derivatives. Tryptamines and derivatives are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine. Based on a literature review very few articles have been published on N-(1-Deoxy-1-fructosyl)tryptophan.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

  Mrv0541 06301305292D          

 27 29  0  0  0  0            999 V2000
   -6.0922   -1.0470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7596   -1.5320    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.5047   -2.3165    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6797   -2.3165    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.4248   -1.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6402   -1.2770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1948   -2.9840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9896   -2.9840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5443   -1.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1574   -1.8291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9481   -0.5919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6156   -1.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6156   -1.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3301   -2.3143    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3301   -3.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0445   -3.5518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6156   -3.5518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0445   -1.9018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8414   -2.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5356    0.6776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2030    0.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1127    0.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8682    0.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1231   -0.5919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5398   -1.1753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2571   -0.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4707   -0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  1  0  0  0
  3  8  1  6  0  0  0
  2  9  1  1  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 14 18  1  1  0  0  0
  5 19  1  0  0  0  0
 19 18  1  0  0  0  0
 21 11  2  0  0  0  0
 11 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 22 27  2  0  0  0  0
 23 24  2  0  0  0  0
M  END

HMDB0037847
     RDKit          3D
N-(1-Deoxy-1-fructosyl)tryptophan
 51 53  0  0  0  0  0  0  0  0999 V2000
    1.0463   -1.9785    2.1640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0356   -1.3556    2.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276   -1.7086    3.2493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3720   -0.2720    1.3200 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6245   -0.6542    0.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0252    0.4209   -0.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2442   -0.0356   -1.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3834   -0.5423   -2.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6833   -0.8242   -2.6062 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3746   -0.5031   -1.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7435   -0.6069   -1.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2123   -0.2054   -0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3377    0.2966    0.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9941    0.3919    0.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4988   -0.0070   -0.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6579    0.0271    0.3735 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8405    0.5350    0.9809 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8944    0.8327   -0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4061    1.7745   -0.9322 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4337   -0.2507   -0.6806 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6394    0.1263   -1.2279 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7653   -0.8252   -0.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5130   -2.0969   -1.3891 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0226    1.4798   -0.6157 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5122    2.4458   -1.4636 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1463    1.4185    0.6451 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6860    0.4662    1.4857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0325   -2.6517    3.5697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6088    0.6365    1.9528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4546   -1.5969   -0.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4465   -0.7789    1.2787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2697    1.3373    0.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1765    0.5938   -1.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5755   -0.6922   -3.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0411   -1.2228   -3.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4389   -0.9915   -1.9391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2689   -0.2587    0.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6993    0.6134    1.8986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2677    0.7852    1.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8366   -0.8087   -0.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1899   -0.0483    1.8333 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5738    1.5464    1.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5263    2.1164   -0.6419 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6034    0.2241   -2.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6835   -0.4472   -1.4508 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0418   -0.8883    0.1373 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8541   -2.7835   -0.7386 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0776    1.5767   -0.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    3.3731   -1.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9743    2.3934    1.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1753   -0.3767    1.5385 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  4 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 15  7  1  0
 26 18  1  0
 15 10  1  0
  3 28  1  0
  4 29  1  1
  5 30  1  0
  5 31  1  0
  6 32  1  0
  6 33  1  0
  8 34  1  0
  9 35  1  0
 11 36  1  0
 12 37  1  0
 13 38  1  0
 14 39  1  0
 16 40  1  0
 17 41  1  0
 17 42  1  0
 19 43  1  0
 21 44  1  6
 22 45  1  0
 22 46  1  0
 23 47  1  0
 24 48  1  1
 25 49  1  0
 26 50  1  1
 27 51  1  0
M  END

  Mrv0541 06301305292D          

 27 29  0  0  0  0            999 V2000
   -6.0922   -1.0470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7596   -1.5320    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.5047   -2.3165    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6797   -2.3165    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.4248   -1.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6402   -1.2770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1948   -2.9840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9896   -2.9840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5443   -1.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1574   -1.8291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9481   -0.5919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6156   -1.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6156   -1.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3301   -2.3143    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3301   -3.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0445   -3.5518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6156   -3.5518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0445   -1.9018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8414   -2.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5356    0.6776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2030    0.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1127    0.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8682    0.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1231   -0.5919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5398   -1.1753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2571   -0.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4707   -0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  1  0  0  0
  3  8  1  6  0  0  0
  2  9  1  1  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 14 18  1  1  0  0  0
  5 19  1  0  0  0  0
 19 18  1  0  0  0  0
 21 11  2  0  0  0  0
 11 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 22 27  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037847

> <DATABASE_NAME>
hmdb

> <SMILES>
OC[C@H]1OC(O)(CN[C@@H](CCC2=CNC3=C2C=CC=C3)C(O)=O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C18H24N2O7/c21-8-14-15(22)16(23)18(26,27-14)9-20-13(17(24)25)6-5-10-7-19-12-4-2-1-3-11(10)12/h1-4,7,13-16,19-23,26H,5-6,8-9H2,(H,24,25)/t13-,14+,15+,16-,18?/m0/s1

> <INCHI_KEY>
WACCHYXNEMWDFW-AXJGUVMDSA-N

> <FORMULA>
C18H24N2O7

> <MOLECULAR_WEIGHT>
380.3924

> <EXACT_MASS>
380.158351132

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
38.353333742967415

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-4-(1H-indol-3-yl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoic acid

> <ALOGPS_LOGP>
-0.29

> <JCHEM_LOGP>
-2.655066683234478

> <ALOGPS_LOGS>
-1.86

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.763971270746104

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7404850809598784

> <JCHEM_PKA_STRONGEST_BASIC>
8.69992901727819

> <JCHEM_POLAR_SURFACE_AREA>
155.27

> <JCHEM_REFRACTIVITY>
93.67790000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.29e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-4-(1H-indol-3-yl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0037847
     RDKit          3D
N-(1-Deoxy-1-fructosyl)tryptophan
 51 53  0  0  0  0  0  0  0  0999 V2000
    1.0463   -1.9785    2.1640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0356   -1.3556    2.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276   -1.7086    3.2493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3720   -0.2720    1.3200 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6245   -0.6542    0.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0252    0.4209   -0.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2442   -0.0356   -1.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3834   -0.5423   -2.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6833   -0.8242   -2.6062 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3746   -0.5031   -1.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7435   -0.6069   -1.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2123   -0.2054   -0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3377    0.2966    0.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9941    0.3919    0.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4988   -0.0070   -0.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6579    0.0271    0.3735 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8405    0.5350    0.9809 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8944    0.8327   -0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4061    1.7745   -0.9322 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4337   -0.2507   -0.6806 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6394    0.1263   -1.2279 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7653   -0.8252   -0.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5130   -2.0969   -1.3891 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0226    1.4798   -0.6157 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5122    2.4458   -1.4636 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1463    1.4185    0.6451 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6860    0.4662    1.4857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0325   -2.6517    3.5697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6088    0.6365    1.9528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4546   -1.5969   -0.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4465   -0.7789    1.2787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2697    1.3373    0.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1765    0.5938   -1.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5755   -0.6922   -3.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0411   -1.2228   -3.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4389   -0.9915   -1.9391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2689   -0.2587    0.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6993    0.6134    1.8986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2677    0.7852    1.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8366   -0.8087   -0.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1899   -0.0483    1.8333 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5738    1.5464    1.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5263    2.1164   -0.6419 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6034    0.2241   -2.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6835   -0.4472   -1.4508 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0418   -0.8883    0.1373 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8541   -2.7835   -0.7386 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0776    1.5767   -0.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    3.3731   -1.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9743    2.3934    1.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1753   -0.3767    1.5385 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  4 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 15  7  1  0
 26 18  1  0
 15 10  1  0
  3 28  1  0
  4 29  1  1
  5 30  1  0
  5 31  1  0
  6 32  1  0
  6 33  1  0
  8 34  1  0
  9 35  1  0
 11 36  1  0
 12 37  1  0
 13 38  1  0
 14 39  1  0
 16 40  1  0
 17 41  1  0
 17 42  1  0
 19 43  1  0
 21 44  1  6
 22 45  1  0
 22 46  1  0
 23 47  1  0
 24 48  1  1
 25 49  1  0
 26 50  1  1
 27 51  1  0
M  END

HEADER    PROTEIN                                 30-JUN-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   30-JUN-13         0                                  
HETATM    1  O   UNK     0     -11.372  -1.954   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0     -12.618  -2.860   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -12.142  -4.324   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -10.602  -4.324   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -10.126  -2.860   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -8.662  -2.384   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      -9.697  -5.570   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0     -13.047  -5.570   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0     -14.083  -2.384   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0     -15.227  -3.414   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -3.636  -1.105   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.882  -2.010   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -4.882  -3.550   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -6.216  -4.320   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -6.216  -5.860   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -7.550  -6.630   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      -4.882  -6.630   0.000  0.00  0.00           O+0
HETATM   18  N   UNK     0      -7.550  -3.550   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      -9.037  -3.949   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0      -2.866   1.265   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0      -4.112   0.360   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.210   0.781   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.621   0.360   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -2.096  -1.105   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.008  -2.194   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.480  -1.795   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       0.879  -0.308   0.000  0.00  0.00           C+0
CONECT    1    2    5                                                       
CONECT    2    1    3    9                                                  
CONECT    3    2    4    8                                                  
CONECT    4    3    5    7                                                  
CONECT    5    4    1    6   19                                             
CONECT    6    5                                                            
CONECT    7    4                                                            
CONECT    8    3                                                            
CONECT    9    2   10                                                       
CONECT   10    9                                                            
CONECT   11   12   21   24                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   18                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   14   19                                                       
CONECT   19    5   18                                                       
CONECT   20   21   23                                                       
CONECT   21   11   20                                                       
CONECT   22   23   27                                                       
CONECT   23   20   22   24                                                  
CONECT   24   11   25   23                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   22                                                       
MASTER        0    0    0    0    0    0    0    0   27    0   58    0
END

COMPND    HMDB0037847
HETATM    1  O1  UNL     1       1.046  -1.978   2.164  1.00  0.00           O  
HETATM    2  C1  UNL     1      -0.036  -1.356   2.248  1.00  0.00           C  
HETATM    3  O2  UNL     1      -0.928  -1.709   3.249  1.00  0.00           O  
HETATM    4  C2  UNL     1      -0.372  -0.272   1.320  1.00  0.00           C  
HETATM    5  C3  UNL     1      -1.625  -0.654   0.542  1.00  0.00           C  
HETATM    6  C4  UNL     1      -2.025   0.421  -0.442  1.00  0.00           C  
HETATM    7  C5  UNL     1      -3.244  -0.036  -1.142  1.00  0.00           C  
HETATM    8  C6  UNL     1      -3.383  -0.542  -2.397  1.00  0.00           C  
HETATM    9  N1  UNL     1      -4.683  -0.824  -2.606  1.00  0.00           N  
HETATM   10  C7  UNL     1      -5.375  -0.503  -1.499  1.00  0.00           C  
HETATM   11  C8  UNL     1      -6.743  -0.607  -1.224  1.00  0.00           C  
HETATM   12  C9  UNL     1      -7.212  -0.205  -0.003  1.00  0.00           C  
HETATM   13  C10 UNL     1      -6.338   0.297   0.944  1.00  0.00           C  
HETATM   14  C11 UNL     1      -4.994   0.392   0.657  1.00  0.00           C  
HETATM   15  C12 UNL     1      -4.499  -0.007  -0.567  1.00  0.00           C  
HETATM   16  N2  UNL     1       0.658   0.027   0.373  1.00  0.00           N  
HETATM   17  C13 UNL     1       1.840   0.535   0.981  1.00  0.00           C  
HETATM   18  C14 UNL     1       2.894   0.833  -0.036  1.00  0.00           C  
HETATM   19  O3  UNL     1       2.406   1.775  -0.932  1.00  0.00           O  
HETATM   20  O4  UNL     1       3.434  -0.251  -0.681  1.00  0.00           O  
HETATM   21  C15 UNL     1       4.639   0.126  -1.228  1.00  0.00           C  
HETATM   22  C16 UNL     1       5.765  -0.825  -0.915  1.00  0.00           C  
HETATM   23  O5  UNL     1       5.513  -2.097  -1.389  1.00  0.00           O  
HETATM   24  C17 UNL     1       5.023   1.480  -0.616  1.00  0.00           C  
HETATM   25  O6  UNL     1       4.512   2.446  -1.464  1.00  0.00           O  
HETATM   26  C18 UNL     1       4.146   1.419   0.645  1.00  0.00           C  
HETATM   27  O7  UNL     1       4.686   0.466   1.486  1.00  0.00           O  
HETATM   28  H1  UNL     1      -1.033  -2.652   3.570  1.00  0.00           H  
HETATM   29  H2  UNL     1      -0.609   0.636   1.953  1.00  0.00           H  
HETATM   30  H3  UNL     1      -1.455  -1.597  -0.003  1.00  0.00           H  
HETATM   31  H4  UNL     1      -2.446  -0.779   1.279  1.00  0.00           H  
HETATM   32  H5  UNL     1      -2.270   1.337   0.150  1.00  0.00           H  
HETATM   33  H6  UNL     1      -1.177   0.594  -1.136  1.00  0.00           H  
HETATM   34  H7  UNL     1      -2.576  -0.692  -3.113  1.00  0.00           H  
HETATM   35  H8  UNL     1      -5.041  -1.223  -3.492  1.00  0.00           H  
HETATM   36  H9  UNL     1      -7.439  -0.991  -1.939  1.00  0.00           H  
HETATM   37  H10 UNL     1      -8.269  -0.259   0.272  1.00  0.00           H  
HETATM   38  H11 UNL     1      -6.699   0.613   1.899  1.00  0.00           H  
HETATM   39  H12 UNL     1      -4.268   0.785   1.377  1.00  0.00           H  
HETATM   40  H13 UNL     1       0.837  -0.809  -0.203  1.00  0.00           H  
HETATM   41  H14 UNL     1       2.190  -0.048   1.833  1.00  0.00           H  
HETATM   42  H15 UNL     1       1.574   1.546   1.427  1.00  0.00           H  
HETATM   43  H16 UNL     1       1.526   2.116  -0.642  1.00  0.00           H  
HETATM   44  H17 UNL     1       4.603   0.224  -2.336  1.00  0.00           H  
HETATM   45  H18 UNL     1       6.683  -0.447  -1.451  1.00  0.00           H  
HETATM   46  H19 UNL     1       6.042  -0.888   0.137  1.00  0.00           H  
HETATM   47  H20 UNL     1       5.854  -2.784  -0.739  1.00  0.00           H  
HETATM   48  H21 UNL     1       6.078   1.577  -0.391  1.00  0.00           H  
HETATM   49  H22 UNL     1       4.636   3.373  -1.135  1.00  0.00           H  
HETATM   50  H23 UNL     1       3.974   2.393   1.087  1.00  0.00           H  
HETATM   51  H24 UNL     1       4.175  -0.377   1.538  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   28
CONECT    4    5   16   29
CONECT    5    6   30   31
CONECT    6    7   32   33
CONECT    7    8    8   15
CONECT    8    9   34
CONECT    9   10   35
CONECT   10   11   11   15
CONECT   11   12   36
CONECT   12   13   13   37
CONECT   13   14   38
CONECT   14   15   15   39
CONECT   16   17   40
CONECT   17   18   41   42
CONECT   18   19   20   26
CONECT   19   43
CONECT   20   21
CONECT   21   22   24   44
CONECT   22   23   45   46
CONECT   23   47
CONECT   24   25   26   48
CONECT   25   49
CONECT   26   27   50
CONECT   27   51
END

HMDB0037847
     RDKit          3D
N-(1-Deoxy-1-fructosyl)tryptophan
 51 53  0  0  0  0  0  0  0  0999 V2000
    1.0463   -1.9785    2.1640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0356   -1.3556    2.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276   -1.7086    3.2493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3720   -0.2720    1.3200 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6245   -0.6542    0.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0252    0.4209   -0.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2442   -0.0356   -1.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3834   -0.5423   -2.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6833   -0.8242   -2.6062 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3746   -0.5031   -1.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7435   -0.6069   -1.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2123   -0.2054   -0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3377    0.2966    0.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9941    0.3919    0.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4988   -0.0070   -0.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6579    0.0271    0.3735 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8405    0.5350    0.9809 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8944    0.8327   -0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4061    1.7745   -0.9322 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4337   -0.2507   -0.6806 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6394    0.1263   -1.2279 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7653   -0.8252   -0.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5130   -2.0969   -1.3891 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0226    1.4798   -0.6157 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5122    2.4458   -1.4636 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1463    1.4185    0.6451 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6860    0.4662    1.4857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0325   -2.6517    3.5697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6088    0.6365    1.9528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4546   -1.5969   -0.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4465   -0.7789    1.2787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2697    1.3373    0.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1765    0.5938   -1.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5755   -0.6922   -3.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0411   -1.2228   -3.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4389   -0.9915   -1.9391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2689   -0.2587    0.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6993    0.6134    1.8986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2677    0.7852    1.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8366   -0.8087   -0.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1899   -0.0483    1.8333 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5738    1.5464    1.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5263    2.1164   -0.6419 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6034    0.2241   -2.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6835   -0.4472   -1.4508 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0418   -0.8883    0.1373 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8541   -2.7835   -0.7386 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0776    1.5767   -0.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    3.3731   -1.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9743    2.3934    1.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1753   -0.3767    1.5385 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  4 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 15  7  1  0
 26 18  1  0
 15 10  1  0
  3 28  1  0
  4 29  1  1
  5 30  1  0
  5 31  1  0
  6 32  1  0
  6 33  1  0
  8 34  1  0
  9 35  1  0
 11 36  1  0
 12 37  1  0
 13 38  1  0
 14 39  1  0
 16 40  1  0
 17 41  1  0
 17 42  1  0
 19 43  1  0
 21 44  1  6
 22 45  1  0
 22 46  1  0
 23 47  1  0
 24 48  1  1
 25 49  1  0
 26 50  1  1
 27 51  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
1-(N-L-Tryptophan)-1-deoxy-D-glucose	HMDB
1-(N-Tryptophan)-1-deoxyfructose	HMDB
1-[[1-Carboxy-2-(1H-indol-3-yl)ethyl]amino]-1-deoxyfructose, 9ci	HMDB
TRP-Fru	HMDB
(2S)-4-(1H-indol-3-yl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoate	HMDB

Chemical Formula

C₁₈H₂₄N₂O₇

Average Molecular Weight

380.3924

Monoisotopic Molecular Weight

380.158351132

IUPAC Name

(2S)-4-(1H-indol-3-yl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoic acid

Traditional Name

(2S)-4-(1H-indol-3-yl)-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoic acid

CAS Registry Number

25020-15-9

SMILES

OC[C@H]1OC(O)(CN[C@@H](CCC2=CNC3=C2C=CC=C3)C(O)=O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C18H24N2O7/c21-8-14-15(22)16(23)18(26,27-14)9-20-13(17(24)25)6-5-10-7-19-12-4-2-1-3-11(10)12/h1-4,7,13-16,19-23,26H,5-6,8-9H2,(H,24,25)/t13-,14+,15+,16-,18?/m0/s1

InChI Key

WACCHYXNEMWDFW-AXJGUVMDSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tryptamines and derivatives. Tryptamines and derivatives are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Tryptamines and derivatives

Direct Parent

Tryptamines and derivatives

Alternative Parents

Substituents

Triptan
C-glycosyl compound
Glycosyl compound
Alpha-amino acid
Alpha-amino acid or derivatives
Pentose monosaccharide
L-alpha-amino acid
3-alkylindole
Indole
Aralkylamine
Monosaccharide
Substituted pyrrole
Benzenoid
Pyrrole
Heteroaromatic compound
Tetrahydrofuran
Amino acid
Amino acid or derivatives
Secondary alcohol
Hemiacetal
Carboxylic acid derivative
Carboxylic acid
Secondary aliphatic amine
Oxacycle
Azacycle
Monocarboxylic acid or derivatives
Secondary amine
Polyol
Hydrocarbon derivative
Organic oxygen compound
Organic nitrogen compound
Alcohol
Amine
Organopnictogen compound
Organic oxide
Organonitrogen compound
Organooxygen compound
Primary alcohol
Carbonyl group
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Exogenous (HMDB: HMDB0037847)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	143 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	5.29 g/L	ALOGPS
logP	-0.29	ALOGPS
logP	-2.7	ChemAxon
logS	-1.9	ALOGPS
pKa (Strongest Acidic)	1.74	ChemAxon
pKa (Strongest Basic)	8.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	155.27 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	93.68 m³·mol⁻¹	ChemAxon
Polarizability	38.35 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	186.572	31661259
DarkChem	[M-H]-	180.533	31661259
DeepCCS	[M+H]+	180.301	30932474
DeepCCS	[M-H]-	177.906	30932474
DeepCCS	[M-2H]-	211.597	30932474
DeepCCS	[M+Na]+	186.693	30932474
AllCCS	[M+H]+	190.4	32859911
AllCCS	[M+H-H2O]+	187.7	32859911
AllCCS	[M+NH4]+	192.8	32859911
AllCCS	[M+Na]+	193.5	32859911
AllCCS	[M-H]-	187.6	32859911
AllCCS	[M+Na-2H]-	187.9	32859911
AllCCS	[M+HCOO]-	188.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
N-(1-Deoxy-1-fructosyl)tryptophan	OC[C@H]1OC(O)(CN[C@@H](CCC2=CNC3=C2C=CC=C3)C(O)=O)[C@@H](O)[C@@H]1O	4093.6	Standard polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan	OC[C@H]1OC(O)(CN[C@@H](CCC2=CNC3=C2C=CC=C3)C(O)=O)[C@@H](O)[C@@H]1O	2667.8	Standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan	OC[C@H]1OC(O)(CN[C@@H](CCC2=CNC3=C2C=CC=C3)C(O)=O)[C@@H](O)[C@@H]1O	3611.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
N-(1-Deoxy-1-fructosyl)tryptophan,1TMS,isomer #1	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[C@@H](O)[C@@H]1O	3581.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,1TMS,isomer #2	C[Si](C)(C)OC1(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O	3587.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,1TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O	3484.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,1TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(O)CN[C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O	3589.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,1TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](O)C(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)O[C@@H]1CO	3584.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,1TMS,isomer #6	C[Si](C)(C)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O	3576.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,1TMS,isomer #7	C[Si](C)(C)N1C=C(CC[C@H](NCC2(O)O[C@H](CO)[C@@H](O)[C@@H]2O)C(=O)O)C2=CC=CC=C21	3532.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #1	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3494.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #10	C[Si](C)(C)OC1(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3542.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #11	C[Si](C)(C)OC1(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O	3498.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	3441.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	3442.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O	3415.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	3478.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #16	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)OC1(O)CN[C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O	3522.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #17	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(O)CN([C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3527.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #18	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(O)CN[C@@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3507.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #19	C[Si](C)(C)O[C@H]1[C@H](O)C(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)O[C@@H]1CO	3520.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #2	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3436.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #20	C[Si](C)(C)O[C@H]1[C@H](O)C(O)(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)O[C@@H]1CO	3498.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #21	C[Si](C)(C)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3481.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #3	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3510.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #4	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3508.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #5	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)[C@@H](O)[C@@H]1O	3523.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #6	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[C@@H](O)[C@@H]1O	3507.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3426.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](O)C(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C)O[C@@H]1CO	3514.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(CN[C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O)O[Si](C)(C)C	3514.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #1	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3376.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #10	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3470.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #11	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3491.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #12	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3478.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #13	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3478.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #14	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3459.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #15	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)[C@@H](O)[C@@H]1O	3471.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	3398.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	3392.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #18	C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3367.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #19	C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	3465.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #2	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3441.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #20	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)OC1(CN[C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O)O[Si](C)(C)C	3454.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #21	C[Si](C)(C)O[C@H]1[C@H](O)C(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)O[C@@H]1CO	3500.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #22	C[Si](C)(C)O[C@H]1[C@H](O)C(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C)O[C@@H]1CO	3465.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #23	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(CN([C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C)O[Si](C)(C)C	3506.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #24	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(CN[C@@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)O[Si](C)(C)C	3474.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #25	C[Si](C)(C)OC1(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3486.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3421.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #27	C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	3391.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #28	C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	3457.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #29	C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	3398.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #3	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3438.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #30	C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	3460.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #31	C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	3419.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #32	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)OC1(O)CN([C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3489.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #33	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)OC1(O)CN[C@@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3483.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #34	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(O)CN([C@@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3482.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #35	C[Si](C)(C)O[C@H]1[C@H](O)C(O)(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)O[C@@H]1CO	3465.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #4	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3501.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #5	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3455.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #6	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3411.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #7	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3407.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #8	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@@H]1O	3450.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TMS,isomer #9	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3390.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #1	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3362.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #10	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3476.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #11	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3394.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #12	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3450.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #13	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3390.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #14	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3438.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #15	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3378.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #16	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@@H]1O	3418.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #17	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3463.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #18	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3459.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #19	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3470.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #2	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3369.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #20	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3450.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #21	C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3368.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #22	C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	3362.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #23	C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	3459.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #24	C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	3359.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #25	C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	3460.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	3432.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #27	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)OC1(CN([C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C)O[Si](C)(C)C	3485.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #28	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)OC1(CN[C@@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)O[Si](C)(C)C	3439.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #29	C[Si](C)(C)O[C@H]1[C@H](O)C(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)O[C@@H]1CO	3459.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #3	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3458.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #30	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(CN([C@@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C)O[Si](C)(C)C	3484.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #31	C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3389.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #32	C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	3444.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #33	C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	3416.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #34	C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	3428.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #35	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)OC1(O)CN([C@@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3459.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #4	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3356.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #5	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3427.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #6	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3490.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #7	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3435.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #8	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3471.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TMS,isomer #9	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3427.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #1	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3369.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #10	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3454.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #11	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3438.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #12	C[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3381.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #13	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3436.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #14	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3417.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #15	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3443.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3351.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	3476.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #18	C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	3436.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #19	C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	3449.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #2	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3474.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #20	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)OC1(CN([C@@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C)O[Si](C)(C)C	3473.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #21	C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	3423.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #3	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3353.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #4	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3459.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #5	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3355.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #6	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3447.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #7	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3501.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #8	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3421.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,5TMS,isomer #9	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3484.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,6TMS,isomer #1	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3505.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,6TMS,isomer #1	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3296.6	Standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,6TMS,isomer #2	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3358.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,6TMS,isomer #2	C[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3199.8	Standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,6TMS,isomer #3	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3465.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,6TMS,isomer #3	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3256.9	Standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,6TMS,isomer #4	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3445.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,6TMS,isomer #4	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3226.8	Standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,6TMS,isomer #5	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3497.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,6TMS,isomer #5	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3230.0	Standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,6TMS,isomer #6	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3434.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,6TMS,isomer #6	C[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3222.5	Standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,6TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	3471.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,6TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	3234.3	Standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,7TMS,isomer #1	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3505.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,7TMS,isomer #1	C[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C)[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3236.9	Standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[C@@H](O)[C@@H]1O	3853.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O	3860.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O	3756.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(O)CN[C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O	3864.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)C(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)O[C@@H]1CO	3857.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O	3828.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N1C=C(CC[C@H](NCC2(O)O[C@H](CO)[C@@H](O)[C@@H]2O)C(=O)O)C2=CC=CC=C21	3802.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4027.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4053.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1(CN[C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O	3977.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3948.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3947.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O	3896.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3972.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)OC1(O)CN[C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O	4031.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(O)CN([C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4034.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(O)CN[C@@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	3981.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)C(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)O[C@@H]1CO	4038.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3956.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)C(O)(CN[C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)O[C@@H]1CO	3976.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	3963.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4027.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4019.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4032.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)[C@@H](O)[C@@H]1O	3991.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3947.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)C(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	4026.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(CN[C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O)O[Si](C)(C)C(C)(C)C	4021.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4107.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4190.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4211.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4129.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4194.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4115.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4154.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4098.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4082.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4011.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	4163.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4175.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)OC1(CN[C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O)O[Si](C)(C)C(C)(C)C	4165.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)C(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	4216.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)C(CN[C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	4104.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(CN([C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4226.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(CN[C@@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)O[Si](C)(C)C(C)(C)C	4108.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1(CN([C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4169.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4106.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4025.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	4147.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4030.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4178.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4159.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	4084.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)OC1(O)CN([C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4206.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)OC1(O)CN[C@@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	4109.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(O)CN([C@@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4152.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)C(O)(CN([C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)O[C@@H]1CO	4145.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4225.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4126.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4113.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4113.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4145.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4030.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4227.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4317.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4251.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4306.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4168.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4295.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4160.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4231.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4349.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN[C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4251.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4309.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4233.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)(CN([C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4283.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4205.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4135.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	4305.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4122.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4312.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	4242.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)OC1(CN([C@@H](CCC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4363.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)OC1(CN[C@@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)O[Si](C)(C)C(C)(C)C	4206.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)C(CN([C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	4296.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4319.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)OC1(CN([C@@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4314.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4153.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[NH]C2=CC=CC=C12)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4295.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	4227.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4243.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)OC1(O)CN([C@@H](CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4284.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4142.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4317.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4373.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4230.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN([C@@H](CCC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4360.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)tryptophan,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H]1OC(CN[C@@H](CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4224.9	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - N-(1-Deoxy-1-fructosyl)tryptophan GC-MS (Non-derivatized) - 70eV, Positive	splash10-08mr-9424000000-e29de8c981f8ada83856	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-(1-Deoxy-1-fructosyl)tryptophan GC-MS (4 TMS) - 70eV, Positive	splash10-0udi-3912135000-b987097c5a5b84be6df3	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-(1-Deoxy-1-fructosyl)tryptophan GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tryptophan 10V, Positive-QTOF	splash10-01q9-1249000000-9b991baac2539b5f87e4	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tryptophan 20V, Positive-QTOF	splash10-01qi-2739000000-29eee29d8ea6e4664cb1	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tryptophan 40V, Positive-QTOF	splash10-001r-6920000000-b73bed2964ac3e88b4f1	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tryptophan 10V, Negative-QTOF	splash10-004i-3139000000-5177237b4ee1dfedee7c	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tryptophan 20V, Negative-QTOF	splash10-02di-2239000000-79497ab4849e0454477d	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tryptophan 40V, Negative-QTOF	splash10-0006-9100000000-f38a1f29b5777ccea046	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tryptophan 10V, Positive-QTOF	splash10-01q9-0129000000-6bf6e27c0971d571aaa4	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tryptophan 20V, Positive-QTOF	splash10-03ea-0459000000-93a6945769ca7542d591	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tryptophan 40V, Positive-QTOF	splash10-0006-1910000000-02480cb45f473daaa765	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tryptophan 10V, Negative-QTOF	splash10-004i-0019000000-aa1503de2ce57043cfa1	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tryptophan 20V, Negative-QTOF	splash10-0690-1459000000-fc22372ef8acd3620699	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)tryptophan 40V, Negative-QTOF	splash10-066r-4392000000-9013d0278a4f5eb567e9	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB016998

KNApSAcK ID

Not Available

Chemspider ID

35014484

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131752249

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for N-(1-Deoxy-1-fructosyl)tryptophan (HMDB0037847)

MOL for HMDB0037847 (N-(1-Deoxy-1-fructosyl)tryptophan)

3D MOL for HMDB0037847 (N-(1-Deoxy-1-fructosyl)tryptophan)

3D SDF for HMDB0037847 (N-(1-Deoxy-1-fructosyl)tryptophan)

3D-SDF for HMDB0037847 (N-(1-Deoxy-1-fructosyl)tryptophan)

PDB for HMDB0037847 (N-(1-Deoxy-1-fructosyl)tryptophan)

3D PDB for HMDB0037847 (N-(1-Deoxy-1-fructosyl)tryptophan)

SMILES for HMDB0037847 (N-(1-Deoxy-1-fructosyl)tryptophan)

INCHI for HMDB0037847 (N-(1-Deoxy-1-fructosyl)tryptophan)

Structure for HMDB0037847 (N-(1-Deoxy-1-fructosyl)tryptophan)

3D Structure for HMDB0037847 (N-(1-Deoxy-1-fructosyl)tryptophan)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra