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Showing metabocard for 2-O-Methylxylose (HMDB0301776)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-22 21:00:36 UTC
Update Date2021-09-22 21:00:36 UTC
HMDB IDHMDB0301776
Secondary Accession NumbersNone
Metabolite Identification
Common Name2-O-Methylxylose
Description2-o-methylxylose is a member of the class of compounds known as pentoses. Pentoses are monosaccharides in which the carbohydrate moiety contains five carbon atoms. 2-o-methylxylose is soluble (in water) and a very weakly acidic compound (based on its pKa). 2-o-methylxylose can be found in date, which makes 2-o-methylxylose a potential biomarker for the consumption of this food product.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0301776 (2-O-Methylxylose)


  Mrv1533007131513212D          

 14 13  0  0  1  0            999 V2000
    0.9059   -0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230    1.1270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9059    1.1270    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1914    0.7145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9520    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3349    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9059    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9059    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  2  0  0  0  0
  8  3  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  6  0  0  0
 11  1  1  0  0  0  0
  6 11  1  6  0  0  0
  4 12  1  6  0  0  0
  5 13  1  6  0  0  0
  6 14  1  6  0  0  0
M  END
Download

3D MOL for HMDB0301776 (2-O-Methylxylose)

HMDB0301776
     RDKit          3D
2-O-Methylxylose
 23 22  0  0  0  0  0  0  0  0999 V2000
   -1.7608   -1.7892   -0.8747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3299   -0.8726    0.0354 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2082   -0.1343   -0.3395 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6515    1.3131   -0.3131 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0811    1.6394    0.9972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8207    1.4480   -1.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6609    1.2452   -2.4270 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9031   -0.2721    0.6854 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2825   -1.6092    0.8388 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1237    0.4556    0.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1759    0.3240    1.1073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0480   -1.3871   -1.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6771   -2.2798   -0.4462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0062   -2.6047   -0.9253 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1728   -0.3770   -1.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1309    2.0125   -0.5948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9084    1.1609    1.2103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7862    1.7209   -0.8505 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6342    0.1378    1.6572 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0711   -1.8469    0.3042 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -0.0223   -0.7771 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9704    1.5283    0.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0201    0.2095    0.6036 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  3  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  3 15  1  6
  4 16  1  6
  5 17  1  0
  6 18  1  0
  8 19  1  1
  9 20  1  0
 10 21  1  0
 10 22  1  0
 11 23  1  0
M  END
Download

3D SDF for HMDB0301776 (2-O-Methylxylose)


  Mrv1533007131513212D          

 14 13  0  0  1  0            999 V2000
    0.9059   -0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230    1.1270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9059    1.1270    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1914    0.7145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9520    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3349    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9059    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9059    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  2  0  0  0  0
  8  3  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  6  0  0  0
 11  1  1  0  0  0  0
  6 11  1  6  0  0  0
  4 12  1  6  0  0  0
  5 13  1  6  0  0  0
  6 14  1  6  0  0  0
M  END
> <DATABASE_ID>
HMDB0301776

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@](O)(CO)[C@@]([H])(OC)[C@]([H])(O)C=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H12O5/c1-11-6(4(9)2-7)5(10)3-8/h2,4-6,8-10H,3H2,1H3/t4-,5+,6+/m1/s1

> <INCHI_KEY>
JNAZNWGFTWHNTH-SRQIZXRXSA-N

> <FORMULA>
C6H12O5

> <MOLECULAR_WEIGHT>
164.157

> <EXACT_MASS>
164.068473486

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
23

> <JCHEM_AVERAGE_POLARIZABILITY>
15.354246670636478

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4S)-2,4,5-trihydroxy-3-methoxypentanal

> <ALOGPS_LOGP>
-1.64

> <JCHEM_LOGP>
-2.294899117333333

> <ALOGPS_LOGS>
0.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.47349773798613

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.430119582422503

> <JCHEM_PKA_STRONGEST_BASIC>
-2.974701900628598

> <JCHEM_POLAR_SURFACE_AREA>
86.99000000000001

> <JCHEM_REFRACTIVITY>
36.1343

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.83e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4S)-2,4,5-trihydroxy-3-methoxypentanal

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0301776 (2-O-Methylxylose)

HMDB0301776
     RDKit          3D
2-O-Methylxylose
 23 22  0  0  0  0  0  0  0  0999 V2000
   -1.7608   -1.7892   -0.8747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3299   -0.8726    0.0354 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2082   -0.1343   -0.3395 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6515    1.3131   -0.3131 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0811    1.6394    0.9972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8207    1.4480   -1.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6609    1.2452   -2.4270 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9031   -0.2721    0.6854 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2825   -1.6092    0.8388 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1237    0.4556    0.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1759    0.3240    1.1073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0480   -1.3871   -1.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6771   -2.2798   -0.4462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0062   -2.6047   -0.9253 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1728   -0.3770   -1.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1309    2.0125   -0.5948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9084    1.1609    1.2103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7862    1.7209   -0.8505 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6342    0.1378    1.6572 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0711   -1.8469    0.3042 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -0.0223   -0.7771 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9704    1.5283    0.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0201    0.2095    0.6036 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  3  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  3 15  1  6
  4 16  1  6
  5 17  1  0
  6 18  1  0
  8 19  1  1
  9 20  1  0
 10 21  1  0
 10 22  1  0
 11 23  1  0
M  END
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PDB for HMDB0301776 (2-O-Methylxylose)

HEADER    PROTEIN                                 13-JUL-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   13-JUL-15         0                                  
HETATM    1  C   UNK     0       1.691  -0.976   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.310   1.334   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.025   1.334   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.976   2.104   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.691   2.104   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.357   1.334   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -3.644   2.104   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       4.358   2.104   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      -0.976   3.644   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       1.691   3.644   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       0.357  -0.206   0.000  0.00  0.00           O+0
HETATM   12  H   UNK     0      -0.976   0.564   0.000  0.00  0.00           H+0
HETATM   13  H   UNK     0       1.691   0.564   0.000  0.00  0.00           H+0
HETATM   14  H   UNK     0       0.357   2.874   0.000  0.00  0.00           H+0
CONECT    1   11                                                            
CONECT    2    4    7                                                       
CONECT    3    5    8                                                       
CONECT    4    2    6    9   12                                             
CONECT    5    3    6   10   13                                             
CONECT    6    4    5   11   14                                             
CONECT    7    2                                                            
CONECT    8    3                                                            
CONECT    9    4                                                            
CONECT   10    5                                                            
CONECT   11    1    6                                                       
CONECT   12    4                                                            
CONECT   13    5                                                            
CONECT   14    6                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   26    0
END
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3D PDB for HMDB0301776 (2-O-Methylxylose)

COMPND    HMDB0301776
HETATM    1  C1  UNL     1      -1.761  -1.789  -0.875  1.00  0.00           C  
HETATM    2  O1  UNL     1      -1.330  -0.873   0.035  1.00  0.00           O  
HETATM    3  C2  UNL     1      -0.208  -0.134  -0.340  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.652   1.313  -0.313  1.00  0.00           C  
HETATM    5  O2  UNL     1      -1.081   1.639   0.997  1.00  0.00           O  
HETATM    6  C4  UNL     1      -1.821   1.448  -1.238  1.00  0.00           C  
HETATM    7  O3  UNL     1      -1.661   1.245  -2.427  1.00  0.00           O  
HETATM    8  C5  UNL     1       0.903  -0.272   0.685  1.00  0.00           C  
HETATM    9  O4  UNL     1       1.283  -1.609   0.839  1.00  0.00           O  
HETATM   10  C6  UNL     1       2.124   0.456   0.179  1.00  0.00           C  
HETATM   11  O5  UNL     1       3.176   0.324   1.107  1.00  0.00           O  
HETATM   12  H1  UNL     1      -2.048  -1.387  -1.836  1.00  0.00           H  
HETATM   13  H2  UNL     1      -2.677  -2.280  -0.446  1.00  0.00           H  
HETATM   14  H3  UNL     1      -1.006  -2.605  -0.925  1.00  0.00           H  
HETATM   15  H4  UNL     1       0.173  -0.377  -1.332  1.00  0.00           H  
HETATM   16  H5  UNL     1       0.131   2.013  -0.595  1.00  0.00           H  
HETATM   17  H6  UNL     1      -1.908   1.161   1.210  1.00  0.00           H  
HETATM   18  H7  UNL     1      -2.786   1.721  -0.851  1.00  0.00           H  
HETATM   19  H8  UNL     1       0.634   0.138   1.657  1.00  0.00           H  
HETATM   20  H9  UNL     1       2.071  -1.847   0.304  1.00  0.00           H  
HETATM   21  H10 UNL     1       2.454  -0.022  -0.777  1.00  0.00           H  
HETATM   22  H11 UNL     1       1.970   1.528   0.011  1.00  0.00           H  
HETATM   23  H12 UNL     1       4.020   0.209   0.604  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3
CONECT    3    4    8   15
CONECT    4    5    6   16
CONECT    5   17
CONECT    6    7    7   18
CONECT    8    9   10   19
CONECT    9   20
CONECT   10   11   21   22
CONECT   11   23
END
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SMILES for HMDB0301776 (2-O-Methylxylose)

[H][C@](O)(CO)[C@@]([H])(OC)[C@]([H])(O)C=O
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INCHI for HMDB0301776 (2-O-Methylxylose)

InChI=1S/C6H12O5/c1-11-6(4(9)2-7)5(10)3-8/h2,4-6,8-10H,3H2,1H3/t4-,5+,6+/m1/s1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
3-O-MethylxyloseMeSH
3-O-Methyl-L-xyloseMeSH
3-MethylxyloseMeSH
Chemical FormulaC6H12O5
Average Molecular Weight164.157
Monoisotopic Molecular Weight164.068473486
IUPAC Name(2S,3R,4S)-2,4,5-trihydroxy-3-methoxypentanal
Traditional Name(2S,3R,4S)-2,4,5-trihydroxy-3-methoxypentanal
CAS Registry NumberNot Available
SMILES
[H][C@](O)(CO)[C@@]([H])(OC)[C@]([H])(O)C=O
InChI Identifier
InChI=1S/C6H12O5/c1-11-6(4(9)2-7)5(10)3-8/h2,4-6,8-10H,3H2,1H3/t4-,5+,6+/m1/s1
InChI KeyJNAZNWGFTWHNTH-SRQIZXRXSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentPentoses
Alternative Parents
Substituents
  • Pentose monosaccharide
  • Alpha-hydroxyaldehyde
  • Secondary alcohol
  • Polyol
  • Ether
  • Dialkyl ether
  • Organic oxide
  • Hydrocarbon derivative
  • Primary alcohol
  • Carbonyl group
  • Aldehyde
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-1.6ALOGPS
logP-2.3ChemAxon
logS0.47ALOGPS
pKa (Strongest Acidic)12.43ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area86.99 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity36.13 m³·mol⁻¹ChemAxon
Polarizability15.35 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+139.11932859911
AllCCS[M+H-H2O]+135.21932859911
AllCCS[M+Na]+143.79532859911
AllCCS[M+NH4]+142.74932859911
AllCCS[M-H]-130.93632859911
AllCCS[M+Na-2H]-132.83232859911
AllCCS[M+HCOO]-134.97132859911
DeepCCS[M+H]+136.91330932474
DeepCCS[M-H]-134.51730932474
DeepCCS[M-2H]-168.37930932474
DeepCCS[M+Na]+142.97630932474

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
2-O-Methylxylose,4TMS,isomer #1CO[C@@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C1726.1Semi standard non polar33892256
2-O-Methylxylose,4TMS,isomer #1CO[C@@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C1616.4Standard non polar33892256
2-O-Methylxylose,4TMS,isomer #1CO[C@@H](C(=CO[Si](C)(C)C)O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C1693.0Standard polar33892256
2-O-Methylxylose,4TBDMS,isomer #1CO[C@@H](C(=CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2531.5Semi standard non polar33892256
2-O-Methylxylose,4TBDMS,isomer #1CO[C@@H](C(=CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2317.3Standard non polar33892256
2-O-Methylxylose,4TBDMS,isomer #1CO[C@@H](C(=CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2186.4Standard polar33892256
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-O-Methylxylose 10V, Positive-QTOFsplash10-014i-0900000000-fe206cbbaba0768fea4d2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-O-Methylxylose 20V, Positive-QTOFsplash10-0aos-5900000000-091b0fd3ecca346db6792016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-O-Methylxylose 40V, Positive-QTOFsplash10-0a4r-9100000000-bbd9252b174c995d43c82016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-O-Methylxylose 10V, Negative-QTOFsplash10-0nmi-3900000000-b8fce314d8d922f0c7832016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-O-Methylxylose 20V, Negative-QTOFsplash10-0a4i-8900000000-0ce5a89e58030e1eb83d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-O-Methylxylose 40V, Negative-QTOFsplash10-0ab9-9000000000-b4ad1136f0c1c8fa54aa2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-O-Methylxylose 10V, Positive-QTOFsplash10-01ox-9300000000-de4172b04e08b325fe4b2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-O-Methylxylose 20V, Positive-QTOFsplash10-01ox-9000000000-3d411800bf573062c99a2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-O-Methylxylose 40V, Positive-QTOFsplash10-000g-9000000000-ed2efc16890c589640a02021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-O-Methylxylose 10V, Negative-QTOFsplash10-0kmi-9600000000-01183841dd9b72aa4c902021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-O-Methylxylose 20V, Negative-QTOFsplash10-0ab9-9200000000-f4f4fe017571a874e9c02021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-O-Methylxylose 40V, Negative-QTOFsplash10-052f-9000000000-f0924b5308d2ce6bed7e2021-10-21Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB001274
KNApSAcK IDNot Available
Chemspider ID168132
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound193736
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available