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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2019-03-07 00:03:56 UTC

Update Date

2022-03-07 03:18:15 UTC

HMDB ID

HMDB0240296

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Tryptophan 2-C-mannoside

Description

Tryptophan 2-C-mannoside, also known as 2-alpha-D-mannopyranosyl-L-tryptophan or C-mannosyltryptophan, belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. Indolyl carboxylic acids and derivatives are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring. It is an L-tryptophan derivative and a C-glycosyl compound in which the hydrogen at position 2 on the indole portion has been replaced by an alpha-mannosyl residue. Tryptophan 2-C-mannoside is a very strong basic compound (based on its pKa). Tryptophan 2-C-mannoside has been identified in blood and urine and is a marker of kidney function (PMID: 29234020 ).

Structure

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

  Mrv1652305052017412D          

 26 28  0  0  0  0            999 V2000
 9997.851410000.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.136910000.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.1368 9999.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8513 9999.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.350510000.5303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9998.565910000.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5658 9999.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3505 9999.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.8353 9999.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.6603 9999.8627    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10001.0728 9999.1482    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10001.8979 9999.1482    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10002.3103 9999.8627    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10001.897910000.5772    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10001.072810000.5772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.3105 9998.4338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.6603 9998.4338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.1353 9999.8627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.135510001.2916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.310510001.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6054 9998.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.0534 9997.7976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.2464 9997.9691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3084 9997.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.7563 9996.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.1153 9996.8415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  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
 10 11  1  0  0  0  0
 14 15  1  0  0  0  0
 10 15  1  0  0  0  0
 10  9  1  1  0  0  0
 14 20  1  6  0  0  0
 20 19  1  0  0  0  0
 13 18  1  1  0  0  0
 12 16  1  6  0  0  0
 11 17  1  6  0  0  0
  8 21  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 22 23  1  1  0  0  0
 22 21  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
M  END

HMDB0240296
     RDKit          3D
Tryptophan 2-C-mannoside
 48 50  0  0  0  0  0  0  0  0999 V2000
   -3.5994    1.2945   -0.6976 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4847    1.5883    0.2380 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0219    0.3865    0.9249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4729   -0.7820    0.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1406   -1.0921    0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0728   -0.3326    0.1669 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0034    0.9956   -0.0120 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1777    1.6558   -0.2671 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8606    1.3382   -1.5670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9906    2.1872   -1.7028 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1883    1.3976    0.8908 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5832    2.5980    1.4432 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4303    0.5505    1.8960 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0315    0.3659    3.0968 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1160   -0.7871    1.1547 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3048   -1.2429    0.6670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1602   -2.3183   -0.6331 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4317   -2.7363   -0.7877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9690   -3.8666   -1.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3153   -4.0877   -1.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1700   -3.1032   -0.8644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6480   -1.9726   -0.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2774   -1.8006   -0.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5388    2.5257   -0.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6062    2.6220   -1.6603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6366    3.2665    0.3357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4801    1.0911   -0.1655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7085    2.0977   -1.3589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0179    2.2648    1.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1872    0.7709    1.6153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8919    0.0750    1.6041 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6894   -0.6165   -0.8428 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9745    2.7431   -0.2417 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2225    1.5714   -2.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2421    0.3286   -1.6805 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8170    1.6754   -1.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0065    0.7664    0.5038 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1955    3.0880    0.8544 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4282    1.0265    2.0233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3741    0.6053    3.8226 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7573   -1.5312    1.8691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7212   -1.9600    1.2116 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6631   -2.8806   -0.9698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2666   -4.5970   -1.8082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7834   -4.9507   -1.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2230   -3.2529   -0.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2700   -1.2194    0.1716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5494    4.2536    0.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
  5 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
  2 24  1  0
 24 25  2  0
 24 26  1  0
 23  4  1  0
 15  6  1  0
 23 18  1  0
  1 27  1  0
  1 28  1  0
  2 29  1  1
  3 30  1  0
  3 31  1  0
  6 32  1  6
  8 33  1  6
  9 34  1  0
  9 35  1  0
 10 36  1  0
 11 37  1  6
 12 38  1  0
 13 39  1  1
 14 40  1  0
 15 41  1  1
 16 42  1  0
 17 43  1  0
 19 44  1  0
 20 45  1  0
 21 46  1  0
 22 47  1  0
 26 48  1  0
M  END

  Mrv1652305052017412D          

 26 28  0  0  0  0            999 V2000
 9997.851410000.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.136910000.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.1368 9999.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8513 9999.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.350510000.5303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9998.565910000.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5658 9999.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3505 9999.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.8353 9999.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.6603 9999.8627    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10001.0728 9999.1482    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10001.8979 9999.1482    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10002.3103 9999.8627    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10001.897910000.5772    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10001.072810000.5772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.3105 9998.4338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.6603 9998.4338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.1353 9999.8627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.135510001.2916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.310510001.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6054 9998.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.0534 9997.7976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.2464 9997.9691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3084 9997.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.7563 9996.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.1153 9996.8415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  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
 10 11  1  0  0  0  0
 14 15  1  0  0  0  0
 10 15  1  0  0  0  0
 10  9  1  1  0  0  0
 14 20  1  6  0  0  0
 20 19  1  0  0  0  0
 13 18  1  1  0  0  0
 12 16  1  6  0  0  0
 11 17  1  6  0  0  0
  8 21  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 22 23  1  1  0  0  0
 22 21  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0240296

> <DATABASE_NAME>
hmdb

> <SMILES>
N[C@@H](CC1=C(NC2=CC=CC=C12)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C17H22N2O7/c18-9(17(24)25)5-8-7-3-1-2-4-10(7)19-12(8)16-15(23)14(22)13(21)11(6-20)26-16/h1-4,9,11,13-16,19-23H,5-6,18H2,(H,24,25)/t9-,11+,13+,14-,15-,16+/m0/s1

> <INCHI_KEY>
CPXSBHKDEPPWIX-RAYCSJGISA-N

> <FORMULA>
C17H22N2O7

> <MOLECULAR_WEIGHT>
366.37

> <EXACT_MASS>
366.142701056

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
48

> <JCHEM_AVERAGE_POLARIZABILITY>
36.57240272353713

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-amino-3-{2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1H-indol-3-yl}propanoic acid

> <ALOGPS_LOGP>
-2.01

> <JCHEM_LOGP>
-3.9234449411073222

> <ALOGPS_LOGS>
-1.90

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.571678950519285

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.9626023925177956

> <JCHEM_PKA_STRONGEST_BASIC>
9.36429507354493

> <JCHEM_POLAR_SURFACE_AREA>
169.26

> <JCHEM_REFRACTIVITY>
89.19859999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.66e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-amino-3-{2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1H-indol-3-yl}propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0240296
     RDKit          3D
Tryptophan 2-C-mannoside
 48 50  0  0  0  0  0  0  0  0999 V2000
   -3.5994    1.2945   -0.6976 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4847    1.5883    0.2380 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0219    0.3865    0.9249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4729   -0.7820    0.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1406   -1.0921    0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0728   -0.3326    0.1669 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0034    0.9956   -0.0120 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1777    1.6558   -0.2671 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8606    1.3382   -1.5670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9906    2.1872   -1.7028 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1883    1.3976    0.8908 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5832    2.5980    1.4432 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4303    0.5505    1.8960 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0315    0.3659    3.0968 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1160   -0.7871    1.1547 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3048   -1.2429    0.6670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1602   -2.3183   -0.6331 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4317   -2.7363   -0.7877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9690   -3.8666   -1.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3153   -4.0877   -1.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1700   -3.1032   -0.8644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6480   -1.9726   -0.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2774   -1.8006   -0.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5388    2.5257   -0.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6062    2.6220   -1.6603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6366    3.2665    0.3357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4801    1.0911   -0.1655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7085    2.0977   -1.3589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0179    2.2648    1.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1872    0.7709    1.6153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8919    0.0750    1.6041 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6894   -0.6165   -0.8428 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9745    2.7431   -0.2417 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2225    1.5714   -2.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2421    0.3286   -1.6805 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8170    1.6754   -1.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0065    0.7664    0.5038 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1955    3.0880    0.8544 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4282    1.0265    2.0233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3741    0.6053    3.8226 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7573   -1.5312    1.8691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7212   -1.9600    1.2116 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6631   -2.8806   -0.9698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2666   -4.5970   -1.8082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7834   -4.9507   -1.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2230   -3.2529   -0.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2700   -1.2194    0.1716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5494    4.2536    0.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
  5 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
  2 24  1  0
 24 25  2  0
 24 26  1  0
 23  4  1  0
 15  6  1  0
 23 18  1  0
  1 27  1  0
  1 28  1  0
  2 29  1  1
  3 30  1  0
  3 31  1  0
  6 32  1  6
  8 33  1  6
  9 34  1  0
  9 35  1  0
 10 36  1  0
 11 37  1  6
 12 38  1  0
 13 39  1  1
 14 40  1  0
 15 41  1  1
 16 42  1  0
 17 43  1  0
 19 44  1  0
 20 45  1  0
 21 46  1  0
 22 47  1  0
 26 48  1  0
M  END

HEADER    PROTEIN                                 05-MAY-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-MAY-20         0                                  
HETATM    1  C   UNK     0    8662.6568667.950   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8661.3228667.180   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8661.3228665.640   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8662.6568664.870   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0    8665.4548667.657   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0    8663.9908667.180   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8663.9898665.641   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8665.4548665.165   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8666.3598666.411   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8667.8998666.410   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8668.6698665.077   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8670.2098665.077   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8670.9798666.410   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8670.2098667.744   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0    8668.6698667.744   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0    8670.9808663.743   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0    8667.8998663.743   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0    8672.5198666.410   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0    8672.5208669.078   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0    8670.9808669.078   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8665.9308663.700   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8664.9008662.556   0.000  0.00  0.00           C+0
HETATM   23  N   UNK     0    8663.3938662.876   0.000  0.00  0.00           N+0
HETATM   24  C   UNK     0    8665.3768661.091   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0    8664.3458659.946   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0    8666.8828660.771   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    7                                                       
CONECT    5    6    9                                                       
CONECT    6    7    5    1                                                  
CONECT    7    6    8    4                                                  
CONECT    8    7    9   21                                                  
CONECT    9    8    5   10                                                  
CONECT   10   11   15    9                                                  
CONECT   11   12   10   17                                                  
CONECT   12   11   13   16                                                  
CONECT   13   12   14   18                                                  
CONECT   14   13   15   20                                                  
CONECT   15   14   10                                                       
CONECT   16   12                                                            
CONECT   17   11                                                            
CONECT   18   13                                                            
CONECT   19   20                                                            
CONECT   20   14   19                                                       
CONECT   21    8   22                                                       
CONECT   22   24   23   21                                                  
CONECT   23   22                                                            
CONECT   24   22   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   56    0
END

COMPND    HMDB0240296
HETATM    1  N1  UNL     1      -3.599   1.294  -0.698  1.00  0.00           N  
HETATM    2  C1  UNL     1      -2.485   1.588   0.238  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.022   0.386   0.925  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.473  -0.782   0.235  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.141  -1.092   0.003  1.00  0.00           C  
HETATM    6  C5  UNL     1       1.073  -0.333   0.167  1.00  0.00           C  
HETATM    7  O1  UNL     1       1.003   0.996  -0.012  1.00  0.00           O  
HETATM    8  C6  UNL     1       2.178   1.656  -0.267  1.00  0.00           C  
HETATM    9  C7  UNL     1       2.861   1.338  -1.567  1.00  0.00           C  
HETATM   10  O2  UNL     1       3.991   2.187  -1.703  1.00  0.00           O  
HETATM   11  C8  UNL     1       3.188   1.398   0.891  1.00  0.00           C  
HETATM   12  O3  UNL     1       3.583   2.598   1.443  1.00  0.00           O  
HETATM   13  C9  UNL     1       2.430   0.550   1.896  1.00  0.00           C  
HETATM   14  O4  UNL     1       3.032   0.366   3.097  1.00  0.00           O  
HETATM   15  C10 UNL     1       2.116  -0.787   1.155  1.00  0.00           C  
HETATM   16  O5  UNL     1       3.305  -1.243   0.667  1.00  0.00           O  
HETATM   17  N2  UNL     1      -0.160  -2.318  -0.633  1.00  0.00           N  
HETATM   18  C11 UNL     1      -1.432  -2.736  -0.788  1.00  0.00           C  
HETATM   19  C12 UNL     1      -1.969  -3.867  -1.373  1.00  0.00           C  
HETATM   20  C13 UNL     1      -3.315  -4.088  -1.430  1.00  0.00           C  
HETATM   21  C14 UNL     1      -4.170  -3.103  -0.864  1.00  0.00           C  
HETATM   22  C15 UNL     1      -3.648  -1.973  -0.282  1.00  0.00           C  
HETATM   23  C16 UNL     1      -2.277  -1.801  -0.252  1.00  0.00           C  
HETATM   24  C17 UNL     1      -1.539   2.526  -0.389  1.00  0.00           C  
HETATM   25  O6  UNL     1      -1.606   2.622  -1.660  1.00  0.00           O  
HETATM   26  O7  UNL     1      -0.637   3.267   0.336  1.00  0.00           O  
HETATM   27  H1  UNL     1      -4.480   1.091  -0.165  1.00  0.00           H  
HETATM   28  H2  UNL     1      -3.708   2.098  -1.359  1.00  0.00           H  
HETATM   29  H3  UNL     1      -3.018   2.265   1.011  1.00  0.00           H  
HETATM   30  H4  UNL     1      -1.187   0.771   1.615  1.00  0.00           H  
HETATM   31  H5  UNL     1      -2.892   0.075   1.604  1.00  0.00           H  
HETATM   32  H6  UNL     1       1.689  -0.616  -0.843  1.00  0.00           H  
HETATM   33  H7  UNL     1       1.975   2.743  -0.242  1.00  0.00           H  
HETATM   34  H8  UNL     1       2.222   1.571  -2.444  1.00  0.00           H  
HETATM   35  H9  UNL     1       3.242   0.329  -1.680  1.00  0.00           H  
HETATM   36  H10 UNL     1       4.817   1.675  -1.771  1.00  0.00           H  
HETATM   37  H11 UNL     1       4.007   0.766   0.504  1.00  0.00           H  
HETATM   38  H12 UNL     1       4.195   3.088   0.854  1.00  0.00           H  
HETATM   39  H13 UNL     1       1.428   1.027   2.023  1.00  0.00           H  
HETATM   40  H14 UNL     1       2.374   0.605   3.823  1.00  0.00           H  
HETATM   41  H15 UNL     1       1.757  -1.531   1.869  1.00  0.00           H  
HETATM   42  H16 UNL     1       3.721  -1.960   1.212  1.00  0.00           H  
HETATM   43  H17 UNL     1       0.663  -2.881  -0.970  1.00  0.00           H  
HETATM   44  H18 UNL     1      -1.267  -4.597  -1.808  1.00  0.00           H  
HETATM   45  H19 UNL     1      -3.783  -4.951  -1.872  1.00  0.00           H  
HETATM   46  H20 UNL     1      -5.223  -3.253  -0.910  1.00  0.00           H  
HETATM   47  H21 UNL     1      -4.270  -1.219   0.172  1.00  0.00           H  
HETATM   48  H22 UNL     1      -0.549   4.254   0.242  1.00  0.00           H  
CONECT    1    2   27   28
CONECT    2    3   24   29
CONECT    3    4   30   31
CONECT    4    5    5   23
CONECT    5    6   17
CONECT    6    7   15   32
CONECT    7    8
CONECT    8    9   11   33
CONECT    9   10   34   35
CONECT   10   36
CONECT   11   12   13   37
CONECT   12   38
CONECT   13   14   15   39
CONECT   14   40
CONECT   15   16   41
CONECT   16   42
CONECT   17   18   43
CONECT   18   19   19   23
CONECT   19   20   44
CONECT   20   21   21   45
CONECT   21   22   46
CONECT   22   23   23   47
CONECT   24   25   25   26
CONECT   26   48
END

HMDB0240296
     RDKit          3D
Tryptophan 2-C-mannoside
 48 50  0  0  0  0  0  0  0  0999 V2000
   -3.5994    1.2945   -0.6976 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4847    1.5883    0.2380 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0219    0.3865    0.9249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4729   -0.7820    0.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1406   -1.0921    0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0728   -0.3326    0.1669 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0034    0.9956   -0.0120 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1777    1.6558   -0.2671 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8606    1.3382   -1.5670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9906    2.1872   -1.7028 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1883    1.3976    0.8908 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5832    2.5980    1.4432 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4303    0.5505    1.8960 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0315    0.3659    3.0968 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1160   -0.7871    1.1547 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3048   -1.2429    0.6670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1602   -2.3183   -0.6331 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4317   -2.7363   -0.7877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9690   -3.8666   -1.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3153   -4.0877   -1.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1700   -3.1032   -0.8644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6480   -1.9726   -0.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2774   -1.8006   -0.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5388    2.5257   -0.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6062    2.6220   -1.6603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6366    3.2665    0.3357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4801    1.0911   -0.1655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7085    2.0977   -1.3589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0179    2.2648    1.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1872    0.7709    1.6153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8919    0.0750    1.6041 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6894   -0.6165   -0.8428 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9745    2.7431   -0.2417 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2225    1.5714   -2.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2421    0.3286   -1.6805 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8170    1.6754   -1.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0065    0.7664    0.5038 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1955    3.0880    0.8544 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4282    1.0265    2.0233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3741    0.6053    3.8226 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7573   -1.5312    1.8691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7212   -1.9600    1.2116 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6631   -2.8806   -0.9698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2666   -4.5970   -1.8082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7834   -4.9507   -1.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2230   -3.2529   -0.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2700   -1.2194    0.1716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5494    4.2536    0.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
  5 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
  2 24  1  0
 24 25  2  0
 24 26  1  0
 23  4  1  0
 15  6  1  0
 23 18  1  0
  1 27  1  0
  1 28  1  0
  2 29  1  1
  3 30  1  0
  3 31  1  0
  6 32  1  6
  8 33  1  6
  9 34  1  0
  9 35  1  0
 10 36  1  0
 11 37  1  6
 12 38  1  0
 13 39  1  1
 14 40  1  0
 15 41  1  1
 16 42  1  0
 17 43  1  0
 19 44  1  0
 20 45  1  0
 21 46  1  0
 22 47  1  0
 26 48  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(1R)-1,5-Anhydro-1-{3-[(2S)-2-amino-2-carboxyethyl]-1H-indol-2-yl}-D-mannitol	ChEBI
2'-alpha-D-Mannosyl-L-tryptophan	ChEBI
2'-alpha-D-Mannosyltryptophan	ChEBI
2'-alpha-Mannosyltryptophan	ChEBI
2'-Tryptophan C-mannoside	ChEBI
C(2)-alpha-D-Mannopyranosyl-L-tryptophan	ChEBI
2'-a-D-Mannosyl-L-tryptophan	Generator
2'-Α-D-mannosyl-L-tryptophan	Generator
2'-a-D-Mannosyltryptophan	Generator
2'-Α-D-mannosyltryptophan	Generator
2'-a-Mannosyltryptophan	Generator
2'-Α-mannosyltryptophan	Generator
C(2)-a-D-Mannopyranosyl-L-tryptophan	Generator
C(2)-Α-D-mannopyranosyl-L-tryptophan	Generator
2'-a-Mannosyl-L-tryptophan	HMDB
2'-Α-mannosyl-L-tryptophan	HMDB
2-(alpha-D-Mannopyranosyl)-L-tryptophan	HMDB
2-(Α-D-mannopyranosyl)-L-tryptophan	HMDB
2-alpha-D-Mannopyranosyl-L-tryptophan	HMDB
2-Α-D-mannopyranosyl-L-tryptophan	HMDB
C2-alpha-D-Mannopyranosyltryptophan	HMDB
C2-Α-D-mannopyranosyltryptophan	HMDB
2-(alpha-Mannopyranosyl)-L-tryptophan	HMDB
2-(Α-mannopyranosyl)-L-tryptophan	HMDB
2-alpha-D-Mannopyranosyltryptophan	HMDB
2-alpha-D-Mannosyl-L-tryptophan	HMDB
2-alpha-D-Mannosyltryptophan	HMDB
2-Α-D-mannopyranosyltryptophan	HMDB
2-Α-D-mannosyl-L-tryptophan	HMDB
2-Α-D-mannosyltryptophan	HMDB
C-Glycosyltryptophan	HMDB
C-Man-TRP	HMDB
C-Mannosyl tryptophan	HMDB
C-Mannosyltryptophan	HMDB
L-Tryptophan 2-C-alpha-D-mannopyranoside	HMDB
L-Tryptophan 2-C-mannopyranoside	HMDB
L-Tryptophan 2-C-α-D-mannopyranoside	HMDB
alpha-C-Man-TRP	HMDB
Α-C-man-TRP	HMDB
2-(Mannopyranosyl)-tryptophan	MeSH
2(MP)-L-T	MeSH
Tryptophan 2-C-mannoside	HMDB

Chemical Formula

C₁₇H₂₂N₂O₇

Average Molecular Weight

366.37

Monoisotopic Molecular Weight

366.142701056

IUPAC Name

(2S)-2-amino-3-{2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1H-indol-3-yl}propanoic acid

Traditional Name

(2S)-2-amino-3-{2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1H-indol-3-yl}propanoic acid

CAS Registry Number

180509-18-6

SMILES

N[C@@H](CC1=C(NC2=CC=CC=C12)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(O)=O

InChI Identifier

InChI=1S/C17H22N2O7/c18-9(17(24)25)5-8-7-3-1-2-4-10(7)19-12(8)16-15(23)14(22)13(21)11(6-20)26-16/h1-4,9,11,13-16,19-23H,5-6,18H2,(H,24,25)/t9-,11+,13+,14-,15-,16+/m0/s1

InChI Key

CPXSBHKDEPPWIX-RAYCSJGISA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. Indolyl carboxylic acids and derivatives are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Indolyl carboxylic acids and derivatives

Direct Parent

Indolyl carboxylic acids and derivatives

Alternative Parents

Substituents

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 29234020)

Organ

Placenta (HMDB: HMDB0240296)

Excreta

Biofluid or Excreta

Urine (PMID: 29234020)

Source

Exogenous

Exogenous (HMDB: HMDB0240296)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	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
logP	-2	ALOGPS
logP	-3.9	ChemAxon
logS	-1.9	ALOGPS
pKa (Strongest Acidic)	1.96	ChemAxon
pKa (Strongest Basic)	9.36	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	169.26 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	89.2 m³·mol⁻¹	ChemAxon
Polarizability	36.57 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	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M-2H]-	205.247	30932474
DeepCCS	[M+Na]+	180.862	30932474
AllCCS	[M+H]+	185.1	32859911
AllCCS	[M+H-H2O]+	182.5	32859911
AllCCS	[M+NH4]+	187.5	32859911
AllCCS	[M+Na]+	188.2	32859911
AllCCS	[M-H]-	181.4	32859911
AllCCS	[M+Na-2H]-	181.3	32859911
AllCCS	[M+HCOO]-	181.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Tryptophan 2-C-mannoside	N[C@@H](CC1=C(NC2=CC=CC=C12)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(O)=O	4363.6	Standard polar	33892256
Tryptophan 2-C-mannoside	N[C@@H](CC1=C(NC2=CC=CC=C12)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(O)=O	3215.7	Standard non polar	33892256
Tryptophan 2-C-mannoside	N[C@@H](CC1=C(NC2=CC=CC=C12)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(O)=O	3571.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Tryptophan 2-C-mannoside,1TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3[NH]2)[C@@H](O)[C@@H](O)[C@@H]1O	3370.2	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,1TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3[NH]2)[C@@H](O)[C@H]1O	3339.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,1TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3[NH]2)[C@H]1O	3326.5	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,1TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1C1=C(C[C@H](N)C(=O)O)C2=CC=CC=C2[NH]1	3309.3	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,1TMS,isomer #5	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[NH]C2=CC=CC=C12	3329.5	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,1TMS,isomer #6	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O	3405.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,1TMS,isomer #7	C[Si](C)(C)N1C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)=C(C[C@H](N)C(=O)O)C2=CC=CC=C21	3345.0	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O)[C@@H](O)[C@@H]1O	3252.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TMS,isomer #10	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O	3289.5	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O)[C@H]1O	3287.7	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TMS,isomer #12	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[NH]C2=CC=CC=C12	3250.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3[NH]2)[C@H]1O[Si](C)(C)C	3246.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TMS,isomer #14	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O	3282.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TMS,isomer #15	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3N2[Si](C)(C)C)[C@H]1O	3281.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TMS,isomer #16	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[NH]C2=CC=CC=C12	3229.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TMS,isomer #17	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[NH]C2=CC=CC=C12)C(=O)O	3271.2	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TMS,isomer #18	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1C1=C(C[C@H](N)C(=O)O)C2=CC=CC=C2N1[Si](C)(C)C	3262.0	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TMS,isomer #19	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3326.7	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3233.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TMS,isomer #20	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)N([Si](C)(C)C)C2=CC=CC=C12	3296.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TMS,isomer #21	C[Si](C)(C)N([C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3488.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TMS,isomer #22	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3348.7	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3[NH]2)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3244.2	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3[NH]2)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3271.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TMS,isomer #5	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O	3284.0	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	3301.3	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TMS,isomer #7	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[NH]C2=CC=CC=C12	3243.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C)[C@H]1O	3237.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3[NH]2)[C@@H](O)[C@H]1O[Si](C)(C)C	3268.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3172.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3[NH]2)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3217.7	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #11	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O	3245.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3248.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #13	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O	3263.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3268.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O)[C@@H](O)[C@@H]1O	3402.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #16	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3290.0	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #17	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)[NH]C2=CC=CC=C12	3199.0	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #18	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)[NH]C2=CC=CC=C12	3175.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #19	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3247.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3197.8	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #20	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)N([Si](C)(C)C)C2=CC=CC=C12	3252.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #21	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3219.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #22	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)[NH]C2=CC=CC=C12)C(=O)O	3242.7	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #23	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3237.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #24	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O	3257.0	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #25	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3278.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #26	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O)[C@H]1O	3399.0	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #27	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3296.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #28	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[NH]C2=CC=CC=C12	3184.5	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #29	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3251.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3196.2	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #30	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)N([Si](C)(C)C)C2=CC=CC=C12	3273.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #31	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[NH]C2=CC=CC=C12)C(=O)O	3247.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #32	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3N2[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3260.8	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #33	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@H]1O	3400.3	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #34	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3294.3	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #35	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3222.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #36	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12	3244.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #37	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1C1=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=CC=CC=C2[NH]1	3388.5	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #38	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3279.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #39	C[Si](C)(C)OC(=O)[C@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3423.7	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #4	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3258.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #40	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3299.0	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #41	C[Si](C)(C)N([C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3460.2	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	3258.0	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3189.8	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3185.2	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #8	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[NH]C2=CC=CC=C12)C(=O)O	3233.7	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3237.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3160.7	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O)[C@@H](O)[C@@H]1O	3397.2	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3287.7	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3201.0	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #13	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[NH]C2=CC=CC=C12)C(=O)O	3226.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3239.7	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #15	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)[NH]C2=CC=CC=C12)C(=O)O	3225.7	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3234.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3356.2	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #18	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3282.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #19	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O	3246.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3151.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3263.2	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3363.8	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #22	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3287.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #23	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3375.5	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #24	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3301.5	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #25	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	3424.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #26	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[NH]C2=CC=CC=C12	3191.3	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #27	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3236.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #28	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)N([Si](C)(C)C)C2=CC=CC=C12	3255.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #29	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3210.7	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3206.0	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #30	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12	3231.5	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #31	C[Si](C)(C)OC(=O)[C@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3398.2	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #32	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3288.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #33	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[NH]C2=CC=CC=C12)C(=O)O	3247.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #34	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3274.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #35	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C)[C@H]1O	3349.0	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #36	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3279.8	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #37	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O)[C@H]1O[Si](C)(C)C	3369.8	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #38	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3298.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #39	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O)[C@H]1O	3405.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3242.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #40	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3216.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #41	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12	3253.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #42	C[Si](C)(C)OC(=O)[C@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3394.3	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #43	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3298.2	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #44	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@H]1O[Si](C)(C)C	3366.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #45	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3297.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #46	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@H]1O	3404.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #47	C[Si](C)(C)OC(=O)[C@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3391.8	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #48	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3281.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #49	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1C1=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=CC=CC=C2N1[Si](C)(C)C	3400.3	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3178.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #50	C[Si](C)(C)OC(=O)[C@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)N([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3447.8	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3230.0	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3255.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #8	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3227.2	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3250.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3191.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3389.2	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #11	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3299.3	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3397.7	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #13	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3298.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	3449.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #15	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[NH]C2=CC=CC=C12)C(=O)O	3267.5	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3266.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3350.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #18	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3274.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3345.3	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #2	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3208.8	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #20	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3277.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3394.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #22	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3370.5	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #23	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3298.0	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #24	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3390.7	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #25	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3410.3	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #26	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3241.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #27	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12	3267.7	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #28	C[Si](C)(C)OC(=O)[C@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3399.7	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #29	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3296.3	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3245.8	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #30	C[Si](C)(C)OC(=O)[C@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3385.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #31	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3281.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #32	C[Si](C)(C)OC(=O)[C@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)N([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3442.3	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #33	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3372.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #34	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3289.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #35	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3374.7	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #36	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3391.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #37	C[Si](C)(C)OC(=O)[C@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3395.5	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #38	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3291.0	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #39	C[Si](C)(C)OC(=O)[C@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)N([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3450.2	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #4	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3209.8	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #40	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3391.3	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #41	C[Si](C)(C)OC(=O)[C@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3447.8	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3242.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3389.3	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3288.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #8	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3227.0	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,5TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3265.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #1	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3251.7	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #1	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3247.3	Standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #1	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3638.5	Standard polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3463.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3316.6	Standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3752.8	Standard polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3471.0	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3317.2	Standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3765.5	Standard polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3390.5	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3349.8	Standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3751.5	Standard polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #13	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3338.0	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #13	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3192.6	Standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #13	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3687.1	Standard polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3407.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3303.4	Standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3799.4	Standard polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3401.2	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3327.5	Standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3762.4	Standard polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3420.7	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3305.8	Standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3768.8	Standard polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3413.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3328.8	Standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3688.0	Standard polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #18	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3312.8	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #18	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3181.1	Standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #18	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3605.8	Standard polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #19	C[Si](C)(C)OC(=O)[C@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)N([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3461.5	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #19	C[Si](C)(C)OC(=O)[C@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)N([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3294.3	Standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #19	C[Si](C)(C)OC(=O)[C@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)N([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3703.5	Standard polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3289.3	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3108.5	Standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3974.9	Standard polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #20	C[Si](C)(C)OC(=O)[C@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3454.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #20	C[Si](C)(C)OC(=O)[C@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3309.0	Standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #20	C[Si](C)(C)OC(=O)[C@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3701.9	Standard polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #21	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3407.3	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #21	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3287.8	Standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #21	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3741.0	Standard polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #22	C[Si](C)(C)OC(=O)[C@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3462.7	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #22	C[Si](C)(C)OC(=O)[C@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3283.5	Standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #22	C[Si](C)(C)OC(=O)[C@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3730.7	Standard polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3396.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3349.9	Standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3747.6	Standard polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #4	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3298.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #4	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3199.5	Standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #4	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3665.6	Standard polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3394.0	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3369.1	Standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3714.7	Standard polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #6	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3300.5	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #6	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3221.0	Standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #6	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3627.4	Standard polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3465.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3333.2	Standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3789.9	Standard polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3407.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3338.3	Standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3714.5	Standard polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #9	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3316.0	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #9	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3196.6	Standard non polar	33892256
Tryptophan 2-C-mannoside,6TMS,isomer #9	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3633.7	Standard polar	33892256
Tryptophan 2-C-mannoside,7TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3442.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,7TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3346.8	Standard non polar	33892256
Tryptophan 2-C-mannoside,7TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3577.8	Standard polar	33892256
Tryptophan 2-C-mannoside,7TMS,isomer #2	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3351.5	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,7TMS,isomer #2	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3220.0	Standard non polar	33892256
Tryptophan 2-C-mannoside,7TMS,isomer #2	C[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3494.1	Standard polar	33892256
Tryptophan 2-C-mannoside,7TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3492.2	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,7TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3310.9	Standard non polar	33892256
Tryptophan 2-C-mannoside,7TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3599.8	Standard polar	33892256
Tryptophan 2-C-mannoside,7TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3486.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,7TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3331.7	Standard non polar	33892256
Tryptophan 2-C-mannoside,7TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3563.8	Standard polar	33892256
Tryptophan 2-C-mannoside,7TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3500.2	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,7TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3309.7	Standard non polar	33892256
Tryptophan 2-C-mannoside,7TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3569.9	Standard polar	33892256
Tryptophan 2-C-mannoside,7TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3465.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,7TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3309.0	Standard non polar	33892256
Tryptophan 2-C-mannoside,7TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3602.5	Standard polar	33892256
Tryptophan 2-C-mannoside,7TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3489.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,7TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3295.8	Standard non polar	33892256
Tryptophan 2-C-mannoside,7TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)N([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3545.1	Standard polar	33892256
Tryptophan 2-C-mannoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3[NH]2)[C@@H](O)[C@@H](O)[C@@H]1O	3636.8	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3[NH]2)[C@@H](O)[C@H]1O	3633.2	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3[NH]2)[C@H]1O	3626.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1C1=C(C[C@H](N)C(=O)O)C2=CC=CC=C2[NH]1	3594.0	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[NH]C2=CC=CC=C12	3645.3	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O	3702.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N1C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)=C(C[C@H](N)C(=O)O)C2=CC=CC=C21	3622.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O)[C@@H](O)[C@@H]1O	3807.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O	3822.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3N2[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3756.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[NH]C2=CC=CC=C12	3807.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3[NH]2)[C@H]1O[Si](C)(C)C(C)(C)C	3779.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O	3825.7	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3N2[Si](C)(C)C(C)(C)C)[C@H]1O	3759.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[NH]C2=CC=CC=C12	3784.3	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[NH]C2=CC=CC=C12)C(=O)O	3795.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1C1=C(C[C@H](N)C(=O)O)C2=CC=CC=C2N1[Si](C)(C)C(C)(C)C	3737.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3846.0	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3768.2	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C12	3781.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N([C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3988.3	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	3827.5	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3[NH]2)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3784.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3[NH]2)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3804.2	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O	3823.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3N2[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	3755.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]2O)[NH]C2=CC=CC=C12	3801.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3764.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3[NH]2)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3795.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3943.3	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3[NH]2)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3964.3	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O	3981.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3N2[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3901.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O	3989.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3N2[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3908.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O)[C@@H](O)[C@@H]1O	4143.3	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	3953.5	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[NH]C2=CC=CC=C12	3931.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[NH]C2=CC=CC=C12	3924.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3977.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3960.5	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]2O)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C12	3908.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3950.5	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[NH]C2=CC=CC=C12)C(=O)O	3951.3	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3N2[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3886.0	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O	3966.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3N2[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3902.2	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O)[C@H]1O	4149.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]2O)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	3954.3	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[NH]C2=CC=CC=C12	3935.0	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3975.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3959.5	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C12	3925.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[NH]C2=CC=CC=C12)C(=O)O	3966.8	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3N2[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3902.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3=CC=CC=C3[NH]2)[C@H]1O	4144.2	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	3954.2	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3949.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C12	3908.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1C1=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=CC=CC=C2[NH]1	4121.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	3944.5	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4142.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3977.7	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3952.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N([C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4142.0	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	3918.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3943.5	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3947.0	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[NH]C2=CC=CC=C12)C(=O)O	3962.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3N2[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3891.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4068.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O)[C@@H](O)[C@@H]1O	4277.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	4058.3	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3[NH]2)[C@@H](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	4110.7	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[NH]C2=CC=CC=C12)C(=O)O	4099.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3N2[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4038.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[NH]C2=CC=CC=C12)C(=O)O	4096.5	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3N2[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4045.2	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4272.3	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	4061.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O	4105.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4063.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3N2[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4052.5	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4280.7	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	4072.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4290.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]2O)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	4069.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	4271.0	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[NH]C2=CC=CC=C12	4059.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	4068.3	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C12	4021.8	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	4056.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	4083.0	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C12	4013.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]2O)[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4278.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]2O)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	4042.8	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[NH]C2=CC=CC=C12)C(=O)O	4092.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](C2=C(C[C@H](N)C(=O)O)C3=CC=CC=C3N2[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	4047.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4271.2	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	4039.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4281.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	4051.2	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4275.7	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4031.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	4077.7	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C12	4030.4	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4272.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	4055.8	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3=CC=CC=C3[NH]2)[C@H]1O[Si](C)(C)C(C)(C)C	4286.9	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	4056.3	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](C2=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C(C)(C)C)[C@H]1O	4272.3	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4261.2	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	4041.8	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1C1=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=CC=CC=C2N1[Si](C)(C)C(C)(C)C	4269.5	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C3=CC=CC=C3[NH]2)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4076.1	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4269.2	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	4097.3	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4036.8	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]2O)[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	4098.6	Semi standard non polar	33892256
Tryptophan 2-C-mannoside,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](C2=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C3=CC=CC=C3N2[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4035.7	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 - Tryptophan 2-C-mannoside 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
Experimental LC-MS/MS	LC-MS/MS Spectrum - Tryptophan 2-C-mannoside CE-QTOF-MS system (Agilent 7100 CE + 6550 QTOF) 10V, Positive-QTOF	splash10-014i-0049000000-429d66198fdcf1cabf9f	2019-03-07	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophan 2-C-mannoside 10V, Positive-QTOF	splash10-0udi-0109000000-fc7c1daf739549f05d41	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophan 2-C-mannoside 20V, Positive-QTOF	splash10-0gxc-0926000000-eae85b92bb2b9afe0511	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophan 2-C-mannoside 40V, Positive-QTOF	splash10-05o0-1930000000-291d7629de2d4ca7d6c3	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophan 2-C-mannoside 10V, Negative-QTOF	splash10-014j-0095000000-c672ca30096473e70993	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophan 2-C-mannoside 20V, Negative-QTOF	splash10-0604-3289000000-1081bf67033725b64f12	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophan 2-C-mannoside 40V, Negative-QTOF	splash10-0ab9-7930000000-6cf8b67a0c576645198f	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Urine

Tissue Locations

Placenta

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	0.26 +/- 0.05 uM	Adult (>18 years old)	Both	Normal	29234020	details
Urine	Detected and Quantified	3.39 +/- 0.80 umol/mmol creatinine	Adult (>18 years old)	Both	Normal	29234020	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	0.72 +/- 0.28 uM	Adult (>18 years old)	Both	Chronic kidney disease	29234020	details
Urine	Detected and Quantified	4.30 +/- 1.05 umol/mmol creatinine	Adult (>18 years old)	Both	Chronic kidney disease	29234020	details

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

Not Available

KNApSAcK ID

Not Available

Chemspider ID

9157171

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10981970

PDB ID

Not Available

ChEBI ID

19232

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

Sekula P, Dettmer K, Vogl FC, Gronwald W, Ellmann L, Mohney RP, Eckardt KU, Suhre K, Kastenmuller G, Oefner PJ, Kottgen A: From Discovery to Translation: Characterization of C-Mannosyltryptophan and Pseudouridine as Markers of Kidney Function. Sci Rep. 2017 Dec 12;7(1):17400. doi: 10.1038/s41598-017-17107-5. [PubMed:29234020 ]
Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Showing metabocard for Tryptophan 2-C-mannoside (HMDB0240296)

MOL for HMDB0240296 (Tryptophan 2-C-mannoside)

3D MOL for HMDB0240296 (Tryptophan 2-C-mannoside)

3D SDF for HMDB0240296 (Tryptophan 2-C-mannoside)

3D-SDF for HMDB0240296 (Tryptophan 2-C-mannoside)

PDB for HMDB0240296 (Tryptophan 2-C-mannoside)

3D PDB for HMDB0240296 (Tryptophan 2-C-mannoside)

SMILES for HMDB0240296 (Tryptophan 2-C-mannoside)

INCHI for HMDB0240296 (Tryptophan 2-C-mannoside)

Structure for HMDB0240296 (Tryptophan 2-C-mannoside)

3D Structure for HMDB0240296 (Tryptophan 2-C-mannoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra