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Showing metabocard for dehydroascorbate (bicyclic form) (HMDB0304326)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-24 08:56:00 UTC
Update Date2021-09-24 08:56:00 UTC
HMDB IDHMDB0304326
Secondary Accession NumbersNone
Metabolite Identification
Common Namedehydroascorbate (bicyclic form)
DescriptionDehydroascorbate (bicyclic form) is a member of the class of compounds known as isosorbides. Isosorbides are organic polycyclic compounds containing an isosorbide(1,4-Dianhydrosorbitol) moiety, which consists of two -oxolan-3-ol rings. Dehydroascorbate (bicyclic form) is soluble (in water) and a very weakly acidic compound (based on its pKa). Dehydroascorbate (bicyclic form) can be found in a number of food items such as white lupine, grass pea, broccoli, and endive, which makes dehydroascorbate (bicyclic form) a potential biomarker for the consumption of these food products.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0304326 (dehydroascorbate (bicyclic form))


  Mrv1533005141521442D          

 13 14  0  0  0  0            999 V2000
   -0.4849   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3099   -0.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846   -1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846    0.5701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5692    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5692   -1.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8242   -2.1195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3356    0.7537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4  9  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
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3D MOL for HMDB0304326 (dehydroascorbate (bicyclic form))

HMDB0304326
     RDKit          3D
dehydroascorbate (bicyclic form)
 21 22  0  0  0  0  0  0  0  0999 V2000
   -2.3568    2.2724   -0.4844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4537    1.3931   -0.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0934    1.5299   -0.7538 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6295    0.7141    0.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6615   -0.1438   -0.5562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8796    0.4902   -0.4834 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6069   -1.3797    0.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2116   -1.5693    0.3902 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3381   -0.3405    0.6429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5737   -0.2342    2.0073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5937   -0.0697   -0.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6265   -0.7415   -1.3600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7442   -0.2232    0.5921 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0609    1.2778    0.9863 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3296   -0.4147   -1.5559 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8203    1.3246   -0.9915 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1173   -2.2347   -0.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0053   -1.0951    1.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1811    0.6277    2.3057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0618   -0.2061   -2.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2994   -0.9772    0.2274 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 11  2  1  0
  9  4  1  0
  4 14  1  0
  5 15  1  0
  6 16  1  0
  7 17  1  0
  7 18  1  0
 10 19  1  0
 12 20  1  0
 13 21  1  0
M  END
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3D SDF for HMDB0304326 (dehydroascorbate (bicyclic form))


  Mrv1533005141521442D          

 13 14  0  0  0  0            999 V2000
   -0.4849   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3099   -0.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846   -1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846    0.5701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5692    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5692   -1.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8242   -2.1195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3356    0.7537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4  9  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0304326

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1COC2(O)C1OC(=O)C2(O)O

> <INCHI_IDENTIFIER>
InChI=1S/C6H8O7/c7-2-1-12-6(11)3(2)13-4(8)5(6,9)10/h2-3,7,9-11H,1H2

> <INCHI_KEY>
QPPOKIPSRPKDEM-UHFFFAOYSA-N

> <FORMULA>
C6H8O7

> <MOLECULAR_WEIGHT>
192.123

> <EXACT_MASS>
192.027002598

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
15.21881698807837

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,3,3a,6-tetrahydroxy-hexahydrofuro[3,2-b]furan-2-one

> <ALOGPS_LOGP>
-1.81

> <JCHEM_LOGP>
-1.8107484793333333

> <ALOGPS_LOGS>
0.51

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.434152759107757

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.667754086353596

> <JCHEM_PKA_STRONGEST_BASIC>
-3.5821773001373414

> <JCHEM_POLAR_SURFACE_AREA>
116.45000000000002

> <JCHEM_REFRACTIVITY>
34.2784

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.20e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,3,3a,6-tetrahydroxy-dihydro-5H-furo[3,2-b]furan-2-one

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0304326 (dehydroascorbate (bicyclic form))

HMDB0304326
     RDKit          3D
dehydroascorbate (bicyclic form)
 21 22  0  0  0  0  0  0  0  0999 V2000
   -2.3568    2.2724   -0.4844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4537    1.3931   -0.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0934    1.5299   -0.7538 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6295    0.7141    0.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6615   -0.1438   -0.5562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8796    0.4902   -0.4834 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6069   -1.3797    0.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2116   -1.5693    0.3902 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3381   -0.3405    0.6429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5737   -0.2342    2.0073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5937   -0.0697   -0.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6265   -0.7415   -1.3600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7442   -0.2232    0.5921 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0609    1.2778    0.9863 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3296   -0.4147   -1.5559 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8203    1.3246   -0.9915 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1173   -2.2347   -0.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0053   -1.0951    1.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1811    0.6277    2.3057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0618   -0.2061   -2.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2994   -0.9772    0.2274 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 11  2  1  0
  9  4  1  0
  4 14  1  0
  5 15  1  0
  6 16  1  0
  7 17  1  0
  7 18  1  0
 10 19  1  0
 12 20  1  0
 13 21  1  0
M  END
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PDB for HMDB0304326 (dehydroascorbate (bicyclic form))

HEADER    PROTEIN                                 14-MAY-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   14-MAY-15         0                                  
HETATM    1  C   UNK     0      -0.905  -1.246   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -2.445  -1.246   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      -0.000  -2.492   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       1.465  -2.016   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.465  -0.476   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       1.465   1.064   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       2.929   0.000   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       3.834  -1.246   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.929  -2.492   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       3.405  -3.956   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -0.000   0.000   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       0.626   1.407   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      -1.334   0.770   0.000  0.00  0.00           O+0
CONECT    1    2    3   11                                                  
CONECT    2    1                                                            
CONECT    3    1    4                                                       
CONECT    4    3    5    9                                                  
CONECT    5    4    6    7   11                                             
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10    4                                                  
CONECT   10    9                                                            
CONECT   11    5   12   13    1                                             
CONECT   12   11                                                            
CONECT   13   11                                                            
MASTER        0    0    0    0    0    0    0    0   13    0   28    0
END
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3D PDB for HMDB0304326 (dehydroascorbate (bicyclic form))

COMPND    HMDB0304326
HETATM    1  O1  UNL     1      -2.357   2.272  -0.484  1.00  0.00           O  
HETATM    2  C1  UNL     1      -1.454   1.393  -0.472  1.00  0.00           C  
HETATM    3  O2  UNL     1      -0.093   1.530  -0.754  1.00  0.00           O  
HETATM    4  C2  UNL     1       0.629   0.714   0.157  1.00  0.00           C  
HETATM    5  C3  UNL     1       1.662  -0.144  -0.556  1.00  0.00           C  
HETATM    6  O3  UNL     1       2.880   0.490  -0.483  1.00  0.00           O  
HETATM    7  C4  UNL     1       1.607  -1.380   0.336  1.00  0.00           C  
HETATM    8  O4  UNL     1       0.212  -1.569   0.390  1.00  0.00           O  
HETATM    9  C5  UNL     1      -0.338  -0.340   0.643  1.00  0.00           C  
HETATM   10  O5  UNL     1      -0.574  -0.234   2.007  1.00  0.00           O  
HETATM   11  C6  UNL     1      -1.594  -0.070  -0.145  1.00  0.00           C  
HETATM   12  O6  UNL     1      -1.626  -0.741  -1.360  1.00  0.00           O  
HETATM   13  O7  UNL     1      -2.744  -0.223   0.592  1.00  0.00           O  
HETATM   14  H1  UNL     1       1.061   1.278   0.986  1.00  0.00           H  
HETATM   15  H2  UNL     1       1.330  -0.415  -1.556  1.00  0.00           H  
HETATM   16  H3  UNL     1       2.820   1.325  -0.991  1.00  0.00           H  
HETATM   17  H4  UNL     1       2.117  -2.235  -0.095  1.00  0.00           H  
HETATM   18  H5  UNL     1       2.005  -1.095   1.336  1.00  0.00           H  
HETATM   19  H6  UNL     1      -0.181   0.628   2.306  1.00  0.00           H  
HETATM   20  H7  UNL     1      -2.062  -0.206  -2.082  1.00  0.00           H  
HETATM   21  H8  UNL     1      -3.299  -0.977   0.227  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   11
CONECT    3    4
CONECT    4    5    9   14
CONECT    5    6    7   15
CONECT    6   16
CONECT    7    8   17   18
CONECT    8    9
CONECT    9   10   11
CONECT   10   19
CONECT   11   12   13
CONECT   12   20
CONECT   13   21
END
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SMILES for HMDB0304326 (dehydroascorbate (bicyclic form))

OC1COC2(O)C1OC(=O)C2(O)O
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INCHI for HMDB0304326 (dehydroascorbate (bicyclic form))

InChI=1S/C6H8O7/c7-2-1-12-6(11)3(2)13-4(8)5(6,9)10/h2-3,7,9-11H,1H2
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View in JSmolView Stereo Labels
Synonyms
ValueSource
Dehydroascorbic acid (bicyclic form)Generator
Chemical FormulaC6H8O7
Average Molecular Weight192.123
Monoisotopic Molecular Weight192.027002598
IUPAC Name3,3,3a,6-tetrahydroxy-hexahydrofuro[3,2-b]furan-2-one
Traditional Name3,3,3a,6-tetrahydroxy-dihydro-5H-furo[3,2-b]furan-2-one
CAS Registry NumberNot Available
SMILES
OC1COC2(O)C1OC(=O)C2(O)O
InChI Identifier
InChI=1S/C6H8O7/c7-2-1-12-6(11)3(2)13-4(8)5(6,9)10/h2-3,7,9-11H,1H2
InChI KeyQPPOKIPSRPKDEM-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as isosorbides. These are organic polycyclic compounds containing an isosorbide(1,4-Dianhydrosorbitol) moiety, which consists of two -oxolan-3-ol rings.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassFurofurans
Sub ClassIsosorbides
Direct ParentIsosorbides
Alternative Parents
Substituents
  • Isosorbide
  • Gamma butyrolactone
  • Monosaccharide
  • Tetrahydrofuran
  • Carboxylic acid ester
  • Hemiacetal
  • Lactone
  • Secondary alcohol
  • Monocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Polyol
  • Carbonyl hydrate
  • Oxacycle
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Organic oxygen compound
  • Alcohol
  • Organooxygen compound
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Source
Process
Naturally occurring process
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-1.8ALOGPS
logP-1.8ChemAxon
logS0.51ALOGPS
pKa (Strongest Acidic)7.67ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area116.45 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity34.28 m³·mol⁻¹ChemAxon
Polarizability15.22 ųChemAxon
Number of Rings2ChemAxon
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]+141.59532859911
AllCCS[M+H-H2O]+137.30632859911
AllCCS[M+Na]+146.74132859911
AllCCS[M+NH4]+145.58932859911
AllCCS[M-H]-131.7232859911
AllCCS[M+Na-2H]-132.03332859911
AllCCS[M+HCOO]-132.45432859911
DeepCCS[M+H]+137.42330932474
DeepCCS[M-H]-134.93130932474
DeepCCS[M-2H]-171.05730932474
DeepCCS[M+Na]+146.30930932474

Predicted Kovats Retention Indices

Not Available
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dehydroascorbate (bicyclic form) 10V, Positive-QTOFsplash10-004l-0900000000-1396ba1fe74de37c85912019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dehydroascorbate (bicyclic form) 20V, Positive-QTOFsplash10-004l-0900000000-8f4701932ba59b33ef7d2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dehydroascorbate (bicyclic form) 40V, Positive-QTOFsplash10-0pb9-6900000000-a2d0290a46c93a7bd3b62019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dehydroascorbate (bicyclic form) 10V, Negative-QTOFsplash10-006x-0900000000-668ff5510aadbc62b2fb2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dehydroascorbate (bicyclic form) 20V, Negative-QTOFsplash10-006x-1900000000-36cba6f93edfdc8852282019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dehydroascorbate (bicyclic form) 40V, Negative-QTOFsplash10-0006-9100000000-73eef2b9dcd111b7f9862019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dehydroascorbate (bicyclic form) 10V, Positive-QTOFsplash10-0006-0900000000-2afd5c3dc22fce82c7272021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dehydroascorbate (bicyclic form) 20V, Positive-QTOFsplash10-0006-1900000000-ad4e05c4faa3121ee0b32021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dehydroascorbate (bicyclic form) 40V, Positive-QTOFsplash10-0f76-9600000000-a9e93f4ce16222b748da2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dehydroascorbate (bicyclic form) 10V, Negative-QTOFsplash10-0006-3900000000-80a3550ad0feee4ef75c2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dehydroascorbate (bicyclic form) 20V, Negative-QTOFsplash10-001r-9800000000-744a841156e88bd5a16b2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dehydroascorbate (bicyclic form) 40V, Negative-QTOFsplash10-001l-6900000000-ba8bd82dbaa8e4abf3ac2021-10-21Wishart 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 IDFDB030806
KNApSAcK IDNot Available
Chemspider ID96459877
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound14159508
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