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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2006-05-22 14:17:45 UTC

Update Date

2021-09-14 15:47:47 UTC

HMDB ID

HMDB0002278

Secondary Accession Numbers

HMDB02278

Metabolite Identification

Common Name

2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol

Description

2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-hex-1-enitol a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol.

Structure

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

  Mrv0541 02231219282D          

 25 26  0  0  1  0            999 V2000
   10.7488  -10.0136    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9238  -10.0136    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1613   -9.2991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5113   -9.2991    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7488   -8.5846    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9238   -8.5846    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5113  -10.7281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6863   -9.2991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5113   -7.8701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1613   -7.8701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7488   -7.1556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2240  -11.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3989  -11.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6365  -10.7281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9864  -10.7281    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.2240  -10.0136    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3989  -10.0136    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9864  -12.1570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1613  -10.7281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9864   -9.2991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6365   -9.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2240   -8.5846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1613  -12.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7488  -12.8715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7488  -11.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  2  7  1  6  0  0  0
  4  8  1  1  0  0  0
  6  9  1  1  0  0  0
  5 10  1  1  0  0  0
 11 10  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  1  0  0  0
 17 20  1  6  0  0  0
 16 21  1  1  0  0  0
 22 21  1  0  0  0  0
  1 19  1  1  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 18 23  1  0  0  0  0
M  END

HMDB0002278
     RDKit          3D
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-...
 48 49  0  0  0  0  0  0  0  0999 V2000
    0.6757    2.2117    3.5192 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1630    1.0994    2.6706 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0742   -0.0740    3.1130 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7048    1.3822    1.4106 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1896    0.3614    0.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4661    0.3099    0.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0426   -0.6359   -0.6063 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1705   -1.5559   -1.2928 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8725   -1.8558   -2.5982 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1267   -2.4248   -2.2802 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8475   -0.8793   -1.4894 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9455   -1.5414   -2.2637 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2588   -0.5899   -0.0740 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0453   -0.0098   -0.1968 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0995   -0.5810    0.2367 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7232   -1.0019   -0.9143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6508   -0.2720   -1.5334 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0420    0.8413   -2.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3487    1.7007   -1.4940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6759    0.3369   -0.5935 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6016    1.7200   -0.5605 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4435   -0.1900    0.8121 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3182    0.4580    1.6597 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9966    0.0948    1.1489 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8770   -0.2526    2.4964 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9584    2.0077    4.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1887    3.1574    3.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    2.3881    3.4083 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7739    2.3703    1.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0955    1.0811    0.7135 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0806   -2.4788   -0.6893 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3045   -2.5061   -3.2753 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1091   -0.8626   -3.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0263   -3.2486   -1.7364 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0281    0.1232   -1.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3744   -1.9444   -3.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3218   -1.5429    0.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7668   -1.5702    0.7291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1766   -0.9292   -2.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8045    1.4676   -2.8439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2913    0.4376   -3.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5237    2.6486   -1.6586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6731    0.0338   -0.9432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5292    2.0487   -0.3428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6682   -1.2794    0.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8831   -0.1488    2.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9124    1.2175    1.1356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4170   -1.1228    2.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  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
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 13  5  1  0
 24 15  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  4 29  1  0
  6 30  1  0
  8 31  1  1
  9 32  1  0
  9 33  1  0
 10 34  1  0
 11 35  1  6
 12 36  1  0
 13 37  1  1
 15 38  1  1
 17 39  1  6
 18 40  1  0
 18 41  1  0
 19 42  1  0
 20 43  1  6
 21 44  1  0
 22 45  1  6
 23 46  1  0
 24 47  1  1
 25 48  1  0
M  END

  Mrv0541 02231219282D          

 25 26  0  0  1  0            999 V2000
   10.7488  -10.0136    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9238  -10.0136    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1613   -9.2991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5113   -9.2991    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7488   -8.5846    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9238   -8.5846    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5113  -10.7281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6863   -9.2991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5113   -7.8701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1613   -7.8701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7488   -7.1556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2240  -11.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3989  -11.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6365  -10.7281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9864  -10.7281    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.2240  -10.0136    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3989  -10.0136    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9864  -12.1570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1613  -10.7281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9864   -9.2991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6365   -9.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2240   -8.5846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1613  -12.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7488  -12.8715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7488  -11.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  2  7  1  6  0  0  0
  4  8  1  1  0  0  0
  6  9  1  1  0  0  0
  5 10  1  1  0  0  0
 11 10  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  1  0  0  0
 17 20  1  6  0  0  0
 16 21  1  1  0  0  0
 22 21  1  0  0  0  0
  1 19  1  1  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 18 23  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0002278

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C14H23NO10/c1-5(18)15-6-4-23-7(2-16)10(20)13(6)25-14-12(22)11(21)9(19)8(3-17)24-14/h4,7-14,16-17,19-22H,2-3H2,1H3,(H,15,18)/t7-,8-,9+,10-,11+,12-,13-,14+/m1/s1

> <INCHI_KEY>
SXLFMZWGFIBWMJ-QTGWYDPFSA-N

> <FORMULA>
C14H23NO10

> <MOLECULAR_WEIGHT>
365.3331

> <EXACT_MASS>
365.132195961

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
33.971164858528816

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-[(2R,3S,4R)-3-hydroxy-2-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-yl]acetamide

> <ALOGPS_LOGP>
-2.20

> <JCHEM_LOGP>
-4.8973569370000005

> <ALOGPS_LOGS>
-0.45

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.742463325766312

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.112655725820758

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810837021616825

> <JCHEM_POLAR_SURFACE_AREA>
178.17

> <JCHEM_REFRACTIVITY>
79.18599999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.30e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-[(4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4H-pyran-3-yl]acetamide

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0002278
     RDKit          3D
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-...
 48 49  0  0  0  0  0  0  0  0999 V2000
    0.6757    2.2117    3.5192 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1630    1.0994    2.6706 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0742   -0.0740    3.1130 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7048    1.3822    1.4106 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1896    0.3614    0.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4661    0.3099    0.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0426   -0.6359   -0.6063 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1705   -1.5559   -1.2928 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8725   -1.8558   -2.5982 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1267   -2.4248   -2.2802 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8475   -0.8793   -1.4894 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9455   -1.5414   -2.2637 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2588   -0.5899   -0.0740 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0453   -0.0098   -0.1968 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0995   -0.5810    0.2367 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7232   -1.0019   -0.9143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6508   -0.2720   -1.5334 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0420    0.8413   -2.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3487    1.7007   -1.4940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6759    0.3369   -0.5935 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6016    1.7200   -0.5605 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4435   -0.1900    0.8121 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3182    0.4580    1.6597 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9966    0.0948    1.1489 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8770   -0.2526    2.4964 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9584    2.0077    4.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1887    3.1574    3.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    2.3881    3.4083 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7739    2.3703    1.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0955    1.0811    0.7135 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0806   -2.4788   -0.6893 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3045   -2.5061   -3.2753 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1091   -0.8626   -3.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0263   -3.2486   -1.7364 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0281    0.1232   -1.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3744   -1.9444   -3.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3218   -1.5429    0.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7668   -1.5702    0.7291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1766   -0.9292   -2.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8045    1.4676   -2.8439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2913    0.4376   -3.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5237    2.6486   -1.6586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6731    0.0338   -0.9432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5292    2.0487   -0.3428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6682   -1.2794    0.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8831   -0.1488    2.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9124    1.2175    1.1356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4170   -1.1228    2.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  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
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 13  5  1  0
 24 15  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  4 29  1  0
  6 30  1  0
  8 31  1  1
  9 32  1  0
  9 33  1  0
 10 34  1  0
 11 35  1  6
 12 36  1  0
 13 37  1  1
 15 38  1  1
 17 39  1  6
 18 40  1  0
 18 41  1  0
 19 42  1  0
 20 43  1  6
 21 44  1  0
 22 45  1  6
 23 46  1  0
 24 47  1  1
 25 48  1  0
M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0      20.065 -18.692   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      18.524 -18.692   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      20.834 -17.358   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      17.754 -17.358   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      20.065 -16.025   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      18.524 -16.025   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      17.754 -20.026   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      16.214 -17.358   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      17.754 -14.691   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      20.834 -14.691   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      20.065 -13.357   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      24.685 -21.359   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      23.145 -21.359   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      25.455 -20.026   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      22.375 -20.026   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      24.685 -18.692   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      23.145 -18.692   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0      22.375 -22.693   0.000  0.00  0.00           N+0
HETATM   19  O   UNK     0      20.834 -20.026   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      22.375 -17.358   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      25.455 -17.358   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      24.685 -16.025   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      20.834 -22.693   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      20.065 -24.027   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      20.065 -21.359   0.000  0.00  0.00           C+0
CONECT    1    2    3   19                                                  
CONECT    2    1    4    7                                                  
CONECT    3    1    5                                                       
CONECT    4    2    6    8                                                  
CONECT    5    3    6   10                                                  
CONECT    6    4    5    9                                                  
CONECT    7    2                                                            
CONECT    8    4                                                            
CONECT    9    6                                                            
CONECT   10    5   11                                                       
CONECT   11   10                                                            
CONECT   12   13   14                                                       
CONECT   13   12   15   18                                                  
CONECT   14   12   16                                                       
CONECT   15   13   17   19                                                  
CONECT   16   14   17   21                                                  
CONECT   17   15   16   20                                                  
CONECT   18   13   23                                                       
CONECT   19   15    1                                                       
CONECT   20   17                                                            
CONECT   21   16   22                                                       
CONECT   22   21                                                            
CONECT   23   24   25   18                                                  
CONECT   24   23                                                            
CONECT   25   23                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   52    0
END

COMPND    HMDB0002278
HETATM    1  C1  UNL     1       0.676   2.212   3.519  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.163   1.099   2.671  1.00  0.00           C  
HETATM    3  O1  UNL     1       1.074  -0.074   3.113  1.00  0.00           O  
HETATM    4  N1  UNL     1       1.705   1.382   1.411  1.00  0.00           N  
HETATM    5  C3  UNL     1       2.190   0.361   0.524  1.00  0.00           C  
HETATM    6  C4  UNL     1       3.466   0.310   0.237  1.00  0.00           C  
HETATM    7  O2  UNL     1       4.043  -0.636  -0.606  1.00  0.00           O  
HETATM    8  C5  UNL     1       3.170  -1.556  -1.293  1.00  0.00           C  
HETATM    9  C6  UNL     1       3.872  -1.856  -2.598  1.00  0.00           C  
HETATM   10  O3  UNL     1       5.127  -2.425  -2.280  1.00  0.00           O  
HETATM   11  C7  UNL     1       1.848  -0.879  -1.489  1.00  0.00           C  
HETATM   12  O4  UNL     1       0.945  -1.541  -2.264  1.00  0.00           O  
HETATM   13  C8  UNL     1       1.259  -0.590  -0.074  1.00  0.00           C  
HETATM   14  O5  UNL     1       0.045  -0.010  -0.197  1.00  0.00           O  
HETATM   15  C9  UNL     1      -1.100  -0.581   0.237  1.00  0.00           C  
HETATM   16  O6  UNL     1      -1.723  -1.002  -0.914  1.00  0.00           O  
HETATM   17  C10 UNL     1      -2.651  -0.272  -1.533  1.00  0.00           C  
HETATM   18  C11 UNL     1      -2.042   0.841  -2.334  1.00  0.00           C  
HETATM   19  O7  UNL     1      -1.349   1.701  -1.494  1.00  0.00           O  
HETATM   20  C12 UNL     1      -3.676   0.337  -0.593  1.00  0.00           C  
HETATM   21  O8  UNL     1      -3.602   1.720  -0.560  1.00  0.00           O  
HETATM   22  C13 UNL     1      -3.444  -0.190   0.812  1.00  0.00           C  
HETATM   23  O9  UNL     1      -4.318   0.458   1.660  1.00  0.00           O  
HETATM   24  C14 UNL     1      -1.997   0.095   1.149  1.00  0.00           C  
HETATM   25  O10 UNL     1      -1.877  -0.253   2.496  1.00  0.00           O  
HETATM   26  H1  UNL     1       0.958   2.008   4.574  1.00  0.00           H  
HETATM   27  H2  UNL     1       1.189   3.157   3.202  1.00  0.00           H  
HETATM   28  H3  UNL     1      -0.421   2.388   3.408  1.00  0.00           H  
HETATM   29  H4  UNL     1       1.774   2.370   1.067  1.00  0.00           H  
HETATM   30  H5  UNL     1       4.096   1.081   0.714  1.00  0.00           H  
HETATM   31  H6  UNL     1       3.081  -2.479  -0.689  1.00  0.00           H  
HETATM   32  H7  UNL     1       3.305  -2.506  -3.275  1.00  0.00           H  
HETATM   33  H8  UNL     1       4.109  -0.863  -3.058  1.00  0.00           H  
HETATM   34  H9  UNL     1       5.026  -3.249  -1.736  1.00  0.00           H  
HETATM   35  H10 UNL     1       2.028   0.123  -1.924  1.00  0.00           H  
HETATM   36  H11 UNL     1       1.374  -1.944  -3.041  1.00  0.00           H  
HETATM   37  H12 UNL     1       1.322  -1.543   0.450  1.00  0.00           H  
HETATM   38  H13 UNL     1      -0.767  -1.570   0.729  1.00  0.00           H  
HETATM   39  H14 UNL     1      -3.177  -0.929  -2.286  1.00  0.00           H  
HETATM   40  H15 UNL     1      -2.804   1.468  -2.844  1.00  0.00           H  
HETATM   41  H16 UNL     1      -1.291   0.438  -3.049  1.00  0.00           H  
HETATM   42  H17 UNL     1      -1.524   2.649  -1.659  1.00  0.00           H  
HETATM   43  H18 UNL     1      -4.673   0.034  -0.943  1.00  0.00           H  
HETATM   44  H19 UNL     1      -4.529   2.049  -0.343  1.00  0.00           H  
HETATM   45  H20 UNL     1      -3.668  -1.279   0.783  1.00  0.00           H  
HETATM   46  H21 UNL     1      -4.883  -0.149   2.170  1.00  0.00           H  
HETATM   47  H22 UNL     1      -1.912   1.218   1.136  1.00  0.00           H  
HETATM   48  H23 UNL     1      -1.417  -1.123   2.603  1.00  0.00           H  
CONECT    1    2   26   27   28
CONECT    2    3    3    4
CONECT    4    5   29
CONECT    5    6    6   13
CONECT    6    7   30
CONECT    7    8
CONECT    8    9   11   31
CONECT    9   10   32   33
CONECT   10   34
CONECT   11   12   13   35
CONECT   12   36
CONECT   13   14   37
CONECT   14   15
CONECT   15   16   24   38
CONECT   16   17
CONECT   17   18   20   39
CONECT   18   19   40   41
CONECT   19   42
CONECT   20   21   22   43
CONECT   21   44
CONECT   22   23   24   45
CONECT   23   46
CONECT   24   25   47
CONECT   25   48
END

HMDB0002278
     RDKit          3D
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-...
 48 49  0  0  0  0  0  0  0  0999 V2000
    0.6757    2.2117    3.5192 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1630    1.0994    2.6706 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0742   -0.0740    3.1130 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7048    1.3822    1.4106 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1896    0.3614    0.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4661    0.3099    0.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0426   -0.6359   -0.6063 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1705   -1.5559   -1.2928 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8725   -1.8558   -2.5982 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1267   -2.4248   -2.2802 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8475   -0.8793   -1.4894 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9455   -1.5414   -2.2637 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2588   -0.5899   -0.0740 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0453   -0.0098   -0.1968 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0995   -0.5810    0.2367 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7232   -1.0019   -0.9143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6508   -0.2720   -1.5334 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0420    0.8413   -2.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3487    1.7007   -1.4940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6759    0.3369   -0.5935 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6016    1.7200   -0.5605 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4435   -0.1900    0.8121 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3182    0.4580    1.6597 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9966    0.0948    1.1489 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8770   -0.2526    2.4964 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9584    2.0077    4.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1887    3.1574    3.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    2.3881    3.4083 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7739    2.3703    1.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0955    1.0811    0.7135 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0806   -2.4788   -0.6893 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3045   -2.5061   -3.2753 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1091   -0.8626   -3.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0263   -3.2486   -1.7364 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0281    0.1232   -1.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3744   -1.9444   -3.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3218   -1.5429    0.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7668   -1.5702    0.7291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1766   -0.9292   -2.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8045    1.4676   -2.8439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2913    0.4376   -3.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5237    2.6486   -1.6586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6731    0.0338   -0.9432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5292    2.0487   -0.3428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6682   -1.2794    0.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8831   -0.1488    2.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9124    1.2175    1.1356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4170   -1.1228    2.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  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
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 13  5  1  0
 24 15  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  4 29  1  0
  6 30  1  0
  8 31  1  1
  9 32  1  0
  9 33  1  0
 10 34  1  0
 11 35  1  6
 12 36  1  0
 13 37  1  1
 15 38  1  1
 17 39  1  6
 18 40  1  0
 18 41  1  0
 19 42  1  0
 20 43  1  6
 21 44  1  0
 22 45  1  6
 23 46  1  0
 24 47  1  1
 25 48  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
N-[(2R,3S,4R)-3-Hydroxy-2-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-yl]ethanimidate	HMDB

Chemical Formula

C₁₄H₂₃NO₁₀

Average Molecular Weight

365.3331

Monoisotopic Molecular Weight

365.132195961

IUPAC Name

N-[(2R,3S,4R)-3-hydroxy-2-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-yl]acetamide

Traditional Name

N-[(4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4H-pyran-3-yl]acetamide

CAS Registry Number

868264-15-7

SMILES

CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C14H23NO10/c1-5(18)15-6-4-23-7(2-16)10(20)13(6)25-14-12(22)11(21)9(19)8(3-17)24-14/h4,7-14,16-17,19-22H,2-3H2,1H3,(H,15,18)/t7-,8-,9+,10-,11+,12-,13-,14+/m1/s1

InChI Key

SXLFMZWGFIBWMJ-QTGWYDPFSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

O-glycosyl compound
Monosaccharide
Oxane
Acetamide
Carboxamide group
Secondary alcohol
Secondary carboxylic acid amide
Acetal
Carboxylic acid derivative
Polyol
Oxacycle
Organoheterocyclic compound
Organonitrogen compound
Organic oxide
Organopnictogen compound
Alcohol
Hydrocarbon derivative
Primary alcohol
Carbonyl group
Organic nitrogen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Endogenous (HMDB: HMDB0002278)

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

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
Water Solubility	130 g/L	ALOGPS
logP	-2.2	ALOGPS
logP	-4.9	ChemAxon
logS	-0.45	ALOGPS
pKa (Strongest Acidic)	12.11	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	178.17 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	79.19 m³·mol⁻¹	ChemAxon
Polarizability	33.97 Å³	ChemAxon
Number of Rings	2	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
DarkChem	[M+H]+	181.752	31661259
DarkChem	[M-H]-	175.981	31661259
DeepCCS	[M+H]+	174.852	30932474
DeepCCS	[M-H]-	172.752	30932474
DeepCCS	[M-2H]-	206.246	30932474
DeepCCS	[M+Na]+	180.598	30932474
AllCCS	[M+H]+	182.9	32859911
AllCCS	[M+H-H2O]+	180.1	32859911
AllCCS	[M+NH4]+	185.4	32859911
AllCCS	[M+Na]+	186.2	32859911
AllCCS	[M-H]-	181.5	32859911
AllCCS	[M+Na-2H]-	181.1	32859911
AllCCS	[M+HCOO]-	180.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	4853.8	Standard polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	3193.7	Standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	3323.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,1TMS,isomer #1	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	3010.6	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,1TMS,isomer #2	CC(=O)NC1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	3034.8	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,1TMS,isomer #3	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	2996.0	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,1TMS,isomer #4	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3014.0	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,1TMS,isomer #5	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3021.2	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,1TMS,isomer #6	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3027.2	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,1TMS,isomer #7	CC(=O)N(C1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C	2964.4	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TMS,isomer #1	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	3010.7	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TMS,isomer #10	CC(=O)NC1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3022.0	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TMS,isomer #11	CC(=O)N(C1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C	2916.1	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TMS,isomer #12	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2999.6	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TMS,isomer #13	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2985.5	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TMS,isomer #14	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2994.5	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TMS,isomer #15	CC(=O)N(C1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C	2923.9	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TMS,isomer #16	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3006.0	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TMS,isomer #17	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3005.6	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TMS,isomer #18	CC(=O)N(C1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C	2916.6	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TMS,isomer #19	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3009.4	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TMS,isomer #2	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	2980.6	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TMS,isomer #20	CC(=O)N(C1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2935.1	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TMS,isomer #21	CC(=O)N(C1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2927.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TMS,isomer #3	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2995.2	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TMS,isomer #4	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2993.5	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TMS,isomer #5	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3006.7	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TMS,isomer #6	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C	2933.2	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TMS,isomer #7	CC(=O)NC1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	2986.8	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TMS,isomer #8	CC(=O)NC1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3012.2	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TMS,isomer #9	CC(=O)NC1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3015.2	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #1	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	2940.7	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #10	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2996.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #11	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3002.7	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #12	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C	2857.8	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #13	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3000.1	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #14	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2885.2	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #15	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2863.6	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #16	CC(=O)NC1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2989.0	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #17	CC(=O)NC1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2985.4	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #18	CC(=O)NC1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2987.1	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #19	CC(=O)N(C1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C	2836.2	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #2	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2988.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #20	CC(=O)NC1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3023.7	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #21	CC(=O)NC1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3028.7	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #22	CC(=O)N(C1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C	2854.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #23	CC(=O)NC1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3023.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #24	CC(=O)N(C1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2883.4	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #25	CC(=O)N(C1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2857.0	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #26	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2999.9	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #27	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3017.0	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #28	CC(=O)N(C1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C	2865.0	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #29	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2993.4	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #3	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2999.9	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #30	CC(=O)N(C1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2883.4	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #31	CC(=O)N(C1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2852.7	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #32	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3021.8	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #33	CC(=O)N(C1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2883.9	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #34	CC(=O)N(C1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2882.5	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #35	CC(=O)N(C1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2883.2	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #4	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2997.6	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #5	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C	2856.5	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #6	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2971.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #7	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2967.4	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #8	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2968.2	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TMS,isomer #9	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C	2857.9	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #1	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2955.9	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #10	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2848.2	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #11	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2974.1	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #12	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2993.0	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #13	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C	2856.9	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #14	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2971.0	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #15	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2870.6	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #16	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2840.6	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #17	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2988.5	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #18	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2876.9	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #19	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2868.4	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #2	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2963.5	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #20	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2866.8	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #21	CC(=O)NC1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2999.5	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #22	CC(=O)NC1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3008.1	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #23	CC(=O)N(C1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C	2857.2	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #24	CC(=O)NC1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2986.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #25	CC(=O)N(C1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2864.6	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #26	CC(=O)N(C1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2835.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #27	CC(=O)NC1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3005.8	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #28	CC(=O)N(C1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2878.5	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #29	CC(=O)N(C1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2869.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #3	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2947.7	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #30	CC(=O)N(C1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2864.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #31	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[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	3005.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #32	CC(=O)N(C1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[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	2873.8	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #33	CC(=O)N(C1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2883.7	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #34	CC(=O)N(C1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2856.5	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #35	CC(=O)N(C1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2865.5	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #4	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C	2825.6	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #5	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2990.9	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #6	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2986.4	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #7	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C	2852.6	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #8	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2980.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TMS,isomer #9	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2877.4	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,5TMS,isomer #1	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2949.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,5TMS,isomer #10	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2848.0	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,5TMS,isomer #11	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[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	2955.9	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,5TMS,isomer #12	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[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	2873.7	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,5TMS,isomer #13	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2880.4	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,5TMS,isomer #14	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2858.9	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,5TMS,isomer #15	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2856.8	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,5TMS,isomer #16	CC(=O)NC1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[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	2956.0	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,5TMS,isomer #17	CC(=O)N(C1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[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	2860.5	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,5TMS,isomer #18	CC(=O)N(C1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2854.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,5TMS,isomer #19	CC(=O)N(C1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2836.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,5TMS,isomer #2	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2953.4	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,5TMS,isomer #20	CC(=O)N(C1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2839.5	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,5TMS,isomer #21	CC(=O)N(C1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[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)[Si](C)(C)C	2857.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,5TMS,isomer #3	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C	2861.8	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,5TMS,isomer #4	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2933.1	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,5TMS,isomer #5	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2863.4	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,5TMS,isomer #6	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2841.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,5TMS,isomer #7	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2927.4	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,5TMS,isomer #8	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C	2866.7	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,5TMS,isomer #9	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2849.2	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,6TMS,isomer #1	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[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	2902.4	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,6TMS,isomer #2	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[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	2869.8	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,6TMS,isomer #3	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2853.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,6TMS,isomer #4	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2845.2	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,6TMS,isomer #5	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C	2841.6	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,6TMS,isomer #6	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[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)[Si](C)(C)C	2855.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,6TMS,isomer #7	CC(=O)N(C1=CO[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[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)[Si](C)(C)C	2832.5	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,7TMS,isomer #1	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[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)[Si](C)(C)C	2863.2	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,7TMS,isomer #1	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[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)[Si](C)(C)C	2906.5	Standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,7TMS,isomer #1	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[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)[Si](C)(C)C	3329.1	Standard polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,1TBDMS,isomer #1	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	3273.0	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,1TBDMS,isomer #2	CC(=O)NC1=CO[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	3285.8	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,1TBDMS,isomer #3	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O	3252.9	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,1TBDMS,isomer #4	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3272.9	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,1TBDMS,isomer #5	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3278.6	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,1TBDMS,isomer #6	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3288.6	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,1TBDMS,isomer #7	CC(=O)N(C1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3192.6	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TBDMS,isomer #1	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	3447.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TBDMS,isomer #10	CC(=O)NC1=CO[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3479.7	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TBDMS,isomer #11	CC(=O)N(C1=CO[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3378.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TBDMS,isomer #12	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[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]1O	3446.0	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TBDMS,isomer #13	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[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]1O	3450.5	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TBDMS,isomer #14	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3457.9	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TBDMS,isomer #15	CC(=O)N(C1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3366.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TBDMS,isomer #16	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[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]1O	3452.1	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TBDMS,isomer #17	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3456.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TBDMS,isomer #18	CC(=O)N(C1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3373.1	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TBDMS,isomer #19	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3461.5	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TBDMS,isomer #2	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O	3426.0	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TBDMS,isomer #20	CC(=O)N(C1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C	3380.8	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TBDMS,isomer #21	CC(=O)N(C1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3384.5	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TBDMS,isomer #3	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3445.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TBDMS,isomer #4	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3446.8	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TBDMS,isomer #5	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3462.0	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TBDMS,isomer #6	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3382.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TBDMS,isomer #7	CC(=O)NC1=CO[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O	3432.2	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TBDMS,isomer #8	CC(=O)NC1=CO[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3465.9	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,2TBDMS,isomer #9	CC(=O)NC1=CO[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3467.2	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #1	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O	3583.5	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #10	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[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]1O	3596.4	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #11	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3609.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #12	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3559.6	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #13	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3605.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #14	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C	3561.0	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #15	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3563.4	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #16	CC(=O)NC1=CO[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[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]1O	3612.6	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #17	CC(=O)NC1=CO[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[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]1O	3611.2	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #18	CC(=O)NC1=CO[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3621.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #19	CC(=O)N(C1=CO[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3530.1	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #2	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3611.0	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #20	CC(=O)NC1=CO[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[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]1O	3606.8	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #21	CC(=O)NC1=CO[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3620.8	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #22	CC(=O)N(C1=CO[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3552.6	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #23	CC(=O)NC1=CO[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3615.8	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #24	CC(=O)N(C1=CO[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C	3558.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #25	CC(=O)N(C1=CO[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3558.2	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #26	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[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]1O	3605.7	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #27	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[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]1O[Si](C)(C)C(C)(C)C	3639.7	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #28	CC(=O)N(C1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[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]1O)[Si](C)(C)C(C)(C)C	3547.5	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #29	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[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]1O[Si](C)(C)C(C)(C)C	3608.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #3	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3610.5	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #30	CC(=O)N(C1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[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]1O)[Si](C)(C)C(C)(C)C	3550.2	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #31	CC(=O)N(C1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3547.5	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #32	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[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]1O[Si](C)(C)C(C)(C)C	3596.0	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #33	CC(=O)N(C1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[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]1O)[Si](C)(C)C(C)(C)C	3538.6	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #34	CC(=O)N(C1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3547.9	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #35	CC(=O)N(C1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3544.0	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #4	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3623.0	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #5	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3541.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #6	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[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]1O	3602.6	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #7	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[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]1O	3606.2	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #8	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3614.6	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,3TBDMS,isomer #9	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3548.4	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #1	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[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]1O	3754.6	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #10	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3715.4	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #11	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[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]1O	3761.5	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #12	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[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]1O[Si](C)(C)C(C)(C)C	3793.0	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #13	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[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]1O)[Si](C)(C)C(C)(C)C	3715.0	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #14	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[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]1O[Si](C)(C)C(C)(C)C	3761.4	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #15	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[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]1O)[Si](C)(C)C(C)(C)C	3723.8	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #16	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3716.8	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #17	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[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]1O[Si](C)(C)C(C)(C)C	3740.1	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #18	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[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]1O)[Si](C)(C)C(C)(C)C	3717.2	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #19	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3723.2	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #2	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[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]1O	3751.5	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #20	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3717.2	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #21	CC(=O)NC1=CO[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[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]1O	3752.0	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #22	CC(=O)NC1=CO[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[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]1O[Si](C)(C)C(C)(C)C	3786.9	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #23	CC(=O)N(C1=CO[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[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]1O)[Si](C)(C)C(C)(C)C	3703.9	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #24	CC(=O)NC1=CO[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[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]1O[Si](C)(C)C(C)(C)C	3756.4	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #25	CC(=O)N(C1=CO[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[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]1O)[Si](C)(C)C(C)(C)C	3708.2	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #26	CC(=O)N(C1=CO[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3705.1	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #27	CC(=O)NC1=CO[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[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]1O[Si](C)(C)C(C)(C)C	3734.7	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #28	CC(=O)N(C1=CO[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[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]1O)[Si](C)(C)C(C)(C)C	3714.0	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #29	CC(=O)N(C1=CO[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3720.4	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #3	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3764.4	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #30	CC(=O)N(C1=CO[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3713.1	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #31	CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[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]1O[Si](C)(C)C(C)(C)C	3775.0	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #32	CC(=O)N(C1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[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]1O)[Si](C)(C)C(C)(C)C	3703.9	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #33	CC(=O)N(C1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[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]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3706.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #34	CC(=O)N(C1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[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]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3696.9	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #35	CC(=O)N(C1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[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]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3701.3	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #4	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3691.2	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #5	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[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]1O	3736.6	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #6	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3751.5	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #7	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3716.5	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #8	CC(=O)NC1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3748.6	Semi standard non polar	33892256
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol,4TBDMS,isomer #9	CC(=O)N(C1=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)[Si](C)(C)C(C)(C)C	3713.7	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 - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol GC-MS (Non-derivatized) - 70eV, Positive	splash10-0f7p-4978000000-46e06a1afc2de79333b3	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol GC-MS (4 TMS) - 70eV, Positive	splash10-000i-3241159000-0e78b40fd83db84acaa9	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol GC-MS (TMS_3_5) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol GC-MS (TMS_3_19) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol GC-MS (TMS_3_22) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol GC-MS (TMS_3_24) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol GC-MS (TMS_3_25) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol GC-MS (TMS_4_4) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol GC-MS (TMS_4_7) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol GC-MS (TMS_4_9) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol GC-MS (TMS_4_10) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol GC-MS (TMS_4_23) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol GC-MS (TMS_4_25) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol GC-MS (TMS_4_26) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol GC-MS (TMS_4_28) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol GC-MS (TMS_4_29) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol GC-MS (TMS_4_30) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol GC-MS (TMS_5_3) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol GC-MS (TMS_5_5) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol GC-MS (TMS_5_6) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol GC-MS (TMS_5_8) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol GC-MS (TMS_5_9) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol GC-MS (TMS_5_10) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol GC-MS (TMS_5_17) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol 10V, Positive-QTOF	splash10-0uy1-0559000000-3b994529012ed891fa8b	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol 20V, Positive-QTOF	splash10-0gw0-1931000000-ea2bd46b645c82035501	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol 40V, Positive-QTOF	splash10-03dl-6920000000-61552918fb03bc486511	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol 10V, Negative-QTOF	splash10-0ik9-1379000000-a5975cf3dc97b023e486	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol 20V, Negative-QTOF	splash10-0udi-4973000000-4cae1687c8abce054214	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol 40V, Negative-QTOF	splash10-0f7o-7920000000-f9e1cedda3ad2daf0299	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol 10V, Negative-QTOF	splash10-03di-0009000000-089d8540ce254c3f3800	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol 20V, Negative-QTOF	splash10-0h2f-3639000000-a42a69f2dfe091ecee7f	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol 40V, Negative-QTOF	splash10-052f-9610000000-00179e490108df2207d5	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol 10V, Positive-QTOF	splash10-014i-0219000000-7fd78eb88f70380d1cd8	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol 20V, Positive-QTOF	splash10-03y0-0912000000-d2d21e2e37456dbc00f9	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol 40V, Positive-QTOF	splash10-052g-9440000000-11bc37a3d2791b6c5a6e	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022943

KNApSAcK ID

Not Available

Chemspider ID

17216181

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

22833592

PDB ID

Not Available

ChEBI ID

169233

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

Zhang H, Singh S, Reinhold VN: Congruent strategies for carbohydrate sequencing. 2. FragLib: an MSn spectral library. Anal Chem. 2005 Oct 1;77(19):6263-70. [PubMed:16194087 ]

Showing metabocard for 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol (HMDB0002278)

MOL for HMDB0002278 (2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol)

3D MOL for HMDB0002278 (2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol)

3D SDF for HMDB0002278 (2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol)

3D-SDF for HMDB0002278 (2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol)

PDB for HMDB0002278 (2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol)

3D PDB for HMDB0002278 (2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol)

SMILES for HMDB0002278 (2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol)

INCHI for HMDB0002278 (2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol)

Structure for HMDB0002278 (2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol)

3D Structure for HMDB0002278 (2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra