Hmdb loader
Survey

Showing metabocard for 2,3-Diaminosalicylic acid (HMDB0013159)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2009-11-30 15:50:10 UTC
Update Date2020-02-26 21:38:18 UTC
HMDB IDHMDB0013159
Secondary Accession Numbers
  • HMDB13159
Metabolite Identification
Common Name2,3-Diaminosalicylic acid
Description2,3-diaminosalicylic acid is classified as a member of the aminobenzoic acids. Aminobenzoic acids are benzoic acids containing an amine group attached to the benzene moiety. 2,3-diaminosalicylic acid is considered to be a slightly soluble (in water) and a moderately acidic compound. 2,3-diaminosalicylic acid can be found in blood and urine.
Structure
Data?1582753098
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0013159 (2,3-Diaminosalicylic acid)


  Mrv1652303102016502D          

 12 12  0  0  0  0            999 V2000
   14.0757   -9.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4883   -8.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0757   -8.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2509   -8.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8384   -8.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2509   -9.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0134   -8.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6010   -8.0096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6010   -9.4385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8384   -7.2949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8383  -10.1531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4884  -10.1531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 11  6  1  0  0  0  0
 12  1  1  0  0  0  0
M  END
Download

3D MOL for HMDB0013159 (2,3-Diaminosalicylic acid)

HMDB0013159
     RDKit          3D
2,3-Diaminosalicylic acid
 20 20  0  0  0  0  0  0  0  0999 V2000
   -2.8461   -0.5223   -0.4487 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6050    0.1242   -0.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4558    1.4908   -0.3279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2395    2.0934   -0.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9267    1.3372    0.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1124    1.9573    0.3082 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7906   -0.0208    0.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9160   -0.9110    0.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7199   -2.1729    0.5213 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2185   -0.5205    0.6874 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4825   -0.6048   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5964   -2.0128    0.0762 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7252   -0.2743    0.0557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9096   -1.3090   -1.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3430    2.0893   -0.5357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0923    3.1693   -0.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0125    1.6362    0.4992 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8685   -0.5259   -0.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8554   -2.4577    0.9667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4144   -2.5655   -0.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  7 11  2  0
 11 12  1  0
 11  2  1  0
  1 13  1  0
  1 14  1  0
  3 15  1  0
  4 16  1  0
  6 17  1  0
 10 18  1  0
 12 19  1  0
 12 20  1  0
M  END
Download

3D SDF for HMDB0013159 (2,3-Diaminosalicylic acid)


  Mrv1652303102016502D          

 12 12  0  0  0  0            999 V2000
   14.0757   -9.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4883   -8.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0757   -8.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2509   -8.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8384   -8.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2509   -9.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0134   -8.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6010   -8.0096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6010   -9.4385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8384   -7.2949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8383  -10.1531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4884  -10.1531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 11  6  1  0  0  0  0
 12  1  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0013159

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=CC=C(O)C(C(O)=O)=C1N

> <INCHI_IDENTIFIER>
InChI=1S/C7H8N2O3/c8-3-1-2-4(10)5(6(3)9)7(11)12/h1-2,10H,8-9H2,(H,11,12)

> <INCHI_KEY>
CGKSFNAGRBJNJO-UHFFFAOYSA-N

> <FORMULA>
C7H8N2O3

> <MOLECULAR_WEIGHT>
168.15

> <EXACT_MASS>
168.053492132

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
15.520747333485966

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2,3-diamino-6-hydroxybenzoic acid

> <ALOGPS_LOGP>
0.09

> <JCHEM_LOGP>
-0.3032975027720011

> <ALOGPS_LOGS>
-1.56

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
15.88730420319919

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.835940852877416

> <JCHEM_PKA_STRONGEST_BASIC>
5.716782931291367

> <JCHEM_POLAR_SURFACE_AREA>
109.57

> <JCHEM_REFRACTIVITY>
44.69590000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.67e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,3-diamino-6-hydroxybenzoic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0013159 (2,3-Diaminosalicylic acid)

HMDB0013159
     RDKit          3D
2,3-Diaminosalicylic acid
 20 20  0  0  0  0  0  0  0  0999 V2000
   -2.8461   -0.5223   -0.4487 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6050    0.1242   -0.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4558    1.4908   -0.3279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2395    2.0934   -0.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9267    1.3372    0.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1124    1.9573    0.3082 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7906   -0.0208    0.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9160   -0.9110    0.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7199   -2.1729    0.5213 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2185   -0.5205    0.6874 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4825   -0.6048   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5964   -2.0128    0.0762 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7252   -0.2743    0.0557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9096   -1.3090   -1.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3430    2.0893   -0.5357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0923    3.1693   -0.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0125    1.6362    0.4992 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8685   -0.5259   -0.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8554   -2.4577    0.9667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4144   -2.5655   -0.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  7 11  2  0
 11 12  1  0
 11  2  1  0
  1 13  1  0
  1 14  1  0
  3 15  1  0
  4 16  1  0
  6 17  1  0
 10 18  1  0
 12 19  1  0
 12 20  1  0
M  END
Download

PDB for HMDB0013159 (2,3-Diaminosalicylic acid)

HEADER    PROTEIN                                 10-MAR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-MAR-20         0                                  
HETATM    1  C   UNK     0      26.275 -17.619   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      27.045 -16.285   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      26.275 -14.951   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      24.735 -14.951   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      23.965 -16.285   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      24.735 -17.619   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      22.425 -16.285   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      21.655 -14.951   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      21.655 -17.619   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      23.965 -13.617   0.000  0.00  0.00           O+0
HETATM   11  N   UNK     0      23.965 -18.952   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0      27.045 -18.952   0.000  0.00  0.00           N+0
CONECT    1    2    6   12                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   10                                                  
CONECT    5    4    6    7                                                  
CONECT    6    1    5   11                                                  
CONECT    7    5    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    4                                                            
CONECT   11    6                                                            
CONECT   12    1                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   24    0
END
Download

3D PDB for HMDB0013159 (2,3-Diaminosalicylic acid)

COMPND    HMDB0013159
HETATM    1  N1  UNL     1      -2.846  -0.522  -0.449  1.00  0.00           N  
HETATM    2  C1  UNL     1      -1.605   0.124  -0.261  1.00  0.00           C  
HETATM    3  C2  UNL     1      -1.456   1.491  -0.328  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.240   2.093  -0.142  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.927   1.337   0.129  1.00  0.00           C  
HETATM    6  O1  UNL     1       2.112   1.957   0.308  1.00  0.00           O  
HETATM    7  C5  UNL     1       0.791  -0.021   0.198  1.00  0.00           C  
HETATM    8  C6  UNL     1       1.916  -0.911   0.470  1.00  0.00           C  
HETATM    9  O2  UNL     1       1.720  -2.173   0.521  1.00  0.00           O  
HETATM   10  O3  UNL     1       3.219  -0.521   0.687  1.00  0.00           O  
HETATM   11  C7  UNL     1      -0.483  -0.605  -0.000  1.00  0.00           C  
HETATM   12  N2  UNL     1      -0.596  -2.013   0.076  1.00  0.00           N  
HETATM   13  H1  UNL     1      -3.725  -0.274   0.056  1.00  0.00           H  
HETATM   14  H2  UNL     1      -2.910  -1.309  -1.139  1.00  0.00           H  
HETATM   15  H3  UNL     1      -2.343   2.089  -0.536  1.00  0.00           H  
HETATM   16  H4  UNL     1      -0.092   3.169  -0.189  1.00  0.00           H  
HETATM   17  H5  UNL     1       3.013   1.636   0.499  1.00  0.00           H  
HETATM   18  H6  UNL     1       3.869  -0.526  -0.095  1.00  0.00           H  
HETATM   19  H7  UNL     1      -0.855  -2.458   0.967  1.00  0.00           H  
HETATM   20  H8  UNL     1      -0.414  -2.566  -0.774  1.00  0.00           H  
CONECT    1    2   13   14
CONECT    2    3    3   11
CONECT    3    4   15
CONECT    4    5    5   16
CONECT    5    6    7
CONECT    6   17
CONECT    7    8   11   11
CONECT    8    9    9   10
CONECT   10   18
CONECT   11   12
CONECT   12   19   20
END
Download

SMILES for HMDB0013159 (2,3-Diaminosalicylic acid)

NC1=CC=C(O)C(C(O)=O)=C1N
Download

INCHI for HMDB0013159 (2,3-Diaminosalicylic acid)

InChI=1S/C7H8N2O3/c8-3-1-2-4(10)5(6(3)9)7(11)12/h1-2,10H,8-9H2,(H,11,12)
Download
View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
2,3-DiaminosalicylateGenerator
2,3-Diamino-6-hydroxybenzoateHMDB
Chemical FormulaC7H8N2O3
Average Molecular Weight168.15
Monoisotopic Molecular Weight168.053492132
IUPAC Name2,3-diamino-6-hydroxybenzoic acid
Traditional Name2,3-diamino-6-hydroxybenzoic acid
CAS Registry NumberNot Available
SMILES
NC1=CC=C(O)C(C(O)=O)=C1N
InChI Identifier
InChI=1S/C7H8N2O3/c8-3-1-2-4(10)5(6(3)9)7(11)12/h1-2,10H,8-9H2,(H,11,12)
InChI KeyCGKSFNAGRBJNJO-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzoic acids and derivatives
Direct ParentAminobenzoic acids
Alternative Parents
Substituents
  • Aminobenzoic acid
  • Salicylic acid
  • Salicylic acid or derivatives
  • Hydroxybenzoic acid
  • Benzoic acid
  • P-aminophenol
  • M-aminophenol
  • Aminophenol
  • Benzoyl
  • Aniline or substituted anilines
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Vinylogous amide
  • Vinylogous acid
  • Amino acid or derivatives
  • Amino acid
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Primary amine
  • Organic nitrogen compound
  • Amine
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
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
Water Solubility4.67 g/LALOGPS
logP0.09ALOGPS
logP-0.3ChemAxon
logS-1.6ALOGPS
pKa (Strongest Acidic)2.84ChemAxon
pKa (Strongest Basic)5.72ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area109.57 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity44.7 m³·mol⁻¹ChemAxon
Polarizability15.52 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+137.33431661259
DarkChem[M-H]-130.00431661259
DeepCCS[M+H]+135.44630932474
DeepCCS[M-H]-133.10330932474
DeepCCS[M-2H]-168.61930932474
DeepCCS[M+Na]+143.33930932474
AllCCS[M+H]+137.132859911
AllCCS[M+H-H2O]+132.832859911
AllCCS[M+NH4]+141.232859911
AllCCS[M+Na]+142.432859911
AllCCS[M-H]-130.132859911
AllCCS[M+Na-2H]-131.132859911
AllCCS[M+HCOO]-132.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
2,3-Diaminosalicylic acidNC1=CC=C(O)C(C(O)=O)=C1N2990.4Standard polar33892256
2,3-Diaminosalicylic acidNC1=CC=C(O)C(C(O)=O)=C1N1911.1Standard non polar33892256
2,3-Diaminosalicylic acidNC1=CC=C(O)C(C(O)=O)=C1N1872.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
2,3-Diaminosalicylic acid,1TMS,isomer #1C[Si](C)(C)OC1=CC=C(N)C(N)=C1C(=O)O1922.1Semi standard non polar33892256
2,3-Diaminosalicylic acid,1TMS,isomer #2C[Si](C)(C)OC(=O)C1=C(O)C=CC(N)=C1N1902.5Semi standard non polar33892256
2,3-Diaminosalicylic acid,1TMS,isomer #3C[Si](C)(C)NC1=CC=C(O)C(C(=O)O)=C1N2026.4Semi standard non polar33892256
2,3-Diaminosalicylic acid,1TMS,isomer #4C[Si](C)(C)NC1=C(N)C=CC(O)=C1C(=O)O2010.0Semi standard non polar33892256
2,3-Diaminosalicylic acid,2TMS,isomer #1C[Si](C)(C)OC(=O)C1=C(O[Si](C)(C)C)C=CC(N)=C1N1941.0Semi standard non polar33892256
2,3-Diaminosalicylic acid,2TMS,isomer #2C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C(C(=O)O)=C1N2037.9Semi standard non polar33892256
2,3-Diaminosalicylic acid,2TMS,isomer #3C[Si](C)(C)NC1=C(N)C=CC(O[Si](C)(C)C)=C1C(=O)O2018.2Semi standard non polar33892256
2,3-Diaminosalicylic acid,2TMS,isomer #4C[Si](C)(C)NC1=CC=C(O)C(C(=O)O[Si](C)(C)C)=C1N1966.2Semi standard non polar33892256
2,3-Diaminosalicylic acid,2TMS,isomer #5C[Si](C)(C)NC1=C(N)C=CC(O)=C1C(=O)O[Si](C)(C)C1963.8Semi standard non polar33892256
2,3-Diaminosalicylic acid,2TMS,isomer #6C[Si](C)(C)NC1=CC=C(O)C(C(=O)O)=C1N[Si](C)(C)C2085.0Semi standard non polar33892256
2,3-Diaminosalicylic acid,2TMS,isomer #7C[Si](C)(C)N(C1=CC=C(O)C(C(=O)O)=C1N)[Si](C)(C)C2071.9Semi standard non polar33892256
2,3-Diaminosalicylic acid,2TMS,isomer #8C[Si](C)(C)N(C1=C(N)C=CC(O)=C1C(=O)O)[Si](C)(C)C2060.7Semi standard non polar33892256
2,3-Diaminosalicylic acid,3TMS,isomer #1C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1N2069.4Semi standard non polar33892256
2,3-Diaminosalicylic acid,3TMS,isomer #1C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1N1951.4Standard non polar33892256
2,3-Diaminosalicylic acid,3TMS,isomer #1C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1N2761.1Standard polar33892256
2,3-Diaminosalicylic acid,3TMS,isomer #10C[Si](C)(C)NC1=CC=C(O)C(C(=O)O)=C1N([Si](C)(C)C)[Si](C)(C)C2145.6Semi standard non polar33892256
2,3-Diaminosalicylic acid,3TMS,isomer #10C[Si](C)(C)NC1=CC=C(O)C(C(=O)O)=C1N([Si](C)(C)C)[Si](C)(C)C2103.9Standard non polar33892256
2,3-Diaminosalicylic acid,3TMS,isomer #10C[Si](C)(C)NC1=CC=C(O)C(C(=O)O)=C1N([Si](C)(C)C)[Si](C)(C)C2319.7Standard polar33892256
2,3-Diaminosalicylic acid,3TMS,isomer #2C[Si](C)(C)NC1=C(N)C=CC(O[Si](C)(C)C)=C1C(=O)O[Si](C)(C)C2034.0Semi standard non polar33892256
2,3-Diaminosalicylic acid,3TMS,isomer #2C[Si](C)(C)NC1=C(N)C=CC(O[Si](C)(C)C)=C1C(=O)O[Si](C)(C)C1944.1Standard non polar33892256
2,3-Diaminosalicylic acid,3TMS,isomer #2C[Si](C)(C)NC1=C(N)C=CC(O[Si](C)(C)C)=C1C(=O)O[Si](C)(C)C2772.7Standard polar33892256
2,3-Diaminosalicylic acid,3TMS,isomer #3C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C(C(=O)O)=C1N[Si](C)(C)C2104.2Semi standard non polar33892256
2,3-Diaminosalicylic acid,3TMS,isomer #3C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C(C(=O)O)=C1N[Si](C)(C)C2031.7Standard non polar33892256
2,3-Diaminosalicylic acid,3TMS,isomer #3C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C(C(=O)O)=C1N[Si](C)(C)C2429.0Standard polar33892256
2,3-Diaminosalicylic acid,3TMS,isomer #4C[Si](C)(C)OC1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C(N)=C1C(=O)O2063.8Semi standard non polar33892256
2,3-Diaminosalicylic acid,3TMS,isomer #4C[Si](C)(C)OC1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C(N)=C1C(=O)O2095.9Standard non polar33892256
2,3-Diaminosalicylic acid,3TMS,isomer #4C[Si](C)(C)OC1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C(N)=C1C(=O)O2466.6Standard polar33892256
2,3-Diaminosalicylic acid,3TMS,isomer #5C[Si](C)(C)OC1=CC=C(N)C(N([Si](C)(C)C)[Si](C)(C)C)=C1C(=O)O2079.3Semi standard non polar33892256
2,3-Diaminosalicylic acid,3TMS,isomer #5C[Si](C)(C)OC1=CC=C(N)C(N([Si](C)(C)C)[Si](C)(C)C)=C1C(=O)O2071.7Standard non polar33892256
2,3-Diaminosalicylic acid,3TMS,isomer #5C[Si](C)(C)OC1=CC=C(N)C(N([Si](C)(C)C)[Si](C)(C)C)=C1C(=O)O2496.6Standard polar33892256
2,3-Diaminosalicylic acid,3TMS,isomer #6C[Si](C)(C)NC1=CC=C(O)C(C(=O)O[Si](C)(C)C)=C1N[Si](C)(C)C2057.9Semi standard non polar33892256
2,3-Diaminosalicylic acid,3TMS,isomer #6C[Si](C)(C)NC1=CC=C(O)C(C(=O)O[Si](C)(C)C)=C1N[Si](C)(C)C2015.3Standard non polar33892256
2,3-Diaminosalicylic acid,3TMS,isomer #6C[Si](C)(C)NC1=CC=C(O)C(C(=O)O[Si](C)(C)C)=C1N[Si](C)(C)C2451.3Standard polar33892256
2,3-Diaminosalicylic acid,3TMS,isomer #7C[Si](C)(C)OC(=O)C1=C(O)C=CC(N([Si](C)(C)C)[Si](C)(C)C)=C1N2031.2Semi standard non polar33892256
2,3-Diaminosalicylic acid,3TMS,isomer #7C[Si](C)(C)OC(=O)C1=C(O)C=CC(N([Si](C)(C)C)[Si](C)(C)C)=C1N2037.6Standard non polar33892256
2,3-Diaminosalicylic acid,3TMS,isomer #7C[Si](C)(C)OC(=O)C1=C(O)C=CC(N([Si](C)(C)C)[Si](C)(C)C)=C1N2543.9Standard polar33892256
2,3-Diaminosalicylic acid,3TMS,isomer #8C[Si](C)(C)OC(=O)C1=C(O)C=CC(N)=C1N([Si](C)(C)C)[Si](C)(C)C2030.9Semi standard non polar33892256
2,3-Diaminosalicylic acid,3TMS,isomer #8C[Si](C)(C)OC(=O)C1=C(O)C=CC(N)=C1N([Si](C)(C)C)[Si](C)(C)C2032.7Standard non polar33892256
2,3-Diaminosalicylic acid,3TMS,isomer #8C[Si](C)(C)OC(=O)C1=C(O)C=CC(N)=C1N([Si](C)(C)C)[Si](C)(C)C2550.4Standard polar33892256
2,3-Diaminosalicylic acid,3TMS,isomer #9C[Si](C)(C)NC1=C(N([Si](C)(C)C)[Si](C)(C)C)C=CC(O)=C1C(=O)O2111.6Semi standard non polar33892256
2,3-Diaminosalicylic acid,3TMS,isomer #9C[Si](C)(C)NC1=C(N([Si](C)(C)C)[Si](C)(C)C)C=CC(O)=C1C(=O)O2061.3Standard non polar33892256
2,3-Diaminosalicylic acid,3TMS,isomer #9C[Si](C)(C)NC1=C(N([Si](C)(C)C)[Si](C)(C)C)C=CC(O)=C1C(=O)O2336.4Standard polar33892256
2,3-Diaminosalicylic acid,4TMS,isomer #1C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1N[Si](C)(C)C2160.1Semi standard non polar33892256
2,3-Diaminosalicylic acid,4TMS,isomer #1C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1N[Si](C)(C)C2031.4Standard non polar33892256
2,3-Diaminosalicylic acid,4TMS,isomer #1C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1N[Si](C)(C)C2323.5Standard polar33892256
2,3-Diaminosalicylic acid,4TMS,isomer #2C[Si](C)(C)OC(=O)C1=C(O[Si](C)(C)C)C=CC(N([Si](C)(C)C)[Si](C)(C)C)=C1N2120.8Semi standard non polar33892256
2,3-Diaminosalicylic acid,4TMS,isomer #2C[Si](C)(C)OC(=O)C1=C(O[Si](C)(C)C)C=CC(N([Si](C)(C)C)[Si](C)(C)C)=C1N2058.3Standard non polar33892256
2,3-Diaminosalicylic acid,4TMS,isomer #2C[Si](C)(C)OC(=O)C1=C(O[Si](C)(C)C)C=CC(N([Si](C)(C)C)[Si](C)(C)C)=C1N2454.6Standard polar33892256
2,3-Diaminosalicylic acid,4TMS,isomer #3C[Si](C)(C)OC(=O)C1=C(O[Si](C)(C)C)C=CC(N)=C1N([Si](C)(C)C)[Si](C)(C)C2120.6Semi standard non polar33892256
2,3-Diaminosalicylic acid,4TMS,isomer #3C[Si](C)(C)OC(=O)C1=C(O[Si](C)(C)C)C=CC(N)=C1N([Si](C)(C)C)[Si](C)(C)C2062.7Standard non polar33892256
2,3-Diaminosalicylic acid,4TMS,isomer #3C[Si](C)(C)OC(=O)C1=C(O[Si](C)(C)C)C=CC(N)=C1N([Si](C)(C)C)[Si](C)(C)C2479.0Standard polar33892256
2,3-Diaminosalicylic acid,4TMS,isomer #4C[Si](C)(C)NC1=C(N([Si](C)(C)C)[Si](C)(C)C)C=CC(O[Si](C)(C)C)=C1C(=O)O2146.9Semi standard non polar33892256
2,3-Diaminosalicylic acid,4TMS,isomer #4C[Si](C)(C)NC1=C(N([Si](C)(C)C)[Si](C)(C)C)C=CC(O[Si](C)(C)C)=C1C(=O)O2123.5Standard non polar33892256
2,3-Diaminosalicylic acid,4TMS,isomer #4C[Si](C)(C)NC1=C(N([Si](C)(C)C)[Si](C)(C)C)C=CC(O[Si](C)(C)C)=C1C(=O)O2216.0Standard polar33892256
2,3-Diaminosalicylic acid,4TMS,isomer #5C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C(C(=O)O)=C1N([Si](C)(C)C)[Si](C)(C)C2183.9Semi standard non polar33892256
2,3-Diaminosalicylic acid,4TMS,isomer #5C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C(C(=O)O)=C1N([Si](C)(C)C)[Si](C)(C)C2142.1Standard non polar33892256
2,3-Diaminosalicylic acid,4TMS,isomer #5C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C(C(=O)O)=C1N([Si](C)(C)C)[Si](C)(C)C2219.2Standard polar33892256
2,3-Diaminosalicylic acid,4TMS,isomer #6C[Si](C)(C)NC1=C(N([Si](C)(C)C)[Si](C)(C)C)C=CC(O)=C1C(=O)O[Si](C)(C)C2100.5Semi standard non polar33892256
2,3-Diaminosalicylic acid,4TMS,isomer #6C[Si](C)(C)NC1=C(N([Si](C)(C)C)[Si](C)(C)C)C=CC(O)=C1C(=O)O[Si](C)(C)C2084.6Standard non polar33892256
2,3-Diaminosalicylic acid,4TMS,isomer #6C[Si](C)(C)NC1=C(N([Si](C)(C)C)[Si](C)(C)C)C=CC(O)=C1C(=O)O[Si](C)(C)C2238.7Standard polar33892256
2,3-Diaminosalicylic acid,4TMS,isomer #7C[Si](C)(C)NC1=CC=C(O)C(C(=O)O[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C2123.8Semi standard non polar33892256
2,3-Diaminosalicylic acid,4TMS,isomer #7C[Si](C)(C)NC1=CC=C(O)C(C(=O)O[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C2088.2Standard non polar33892256
2,3-Diaminosalicylic acid,4TMS,isomer #7C[Si](C)(C)NC1=CC=C(O)C(C(=O)O[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C2223.6Standard polar33892256
2,3-Diaminosalicylic acid,4TMS,isomer #8C[Si](C)(C)N(C1=CC=C(O)C(C(=O)O)=C1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2106.8Semi standard non polar33892256
2,3-Diaminosalicylic acid,4TMS,isomer #8C[Si](C)(C)N(C1=CC=C(O)C(C(=O)O)=C1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2251.0Standard non polar33892256
2,3-Diaminosalicylic acid,4TMS,isomer #8C[Si](C)(C)N(C1=CC=C(O)C(C(=O)O)=C1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2220.8Standard polar33892256
2,3-Diaminosalicylic acid,5TMS,isomer #1C[Si](C)(C)NC1=C(N([Si](C)(C)C)[Si](C)(C)C)C=CC(O[Si](C)(C)C)=C1C(=O)O[Si](C)(C)C2214.7Semi standard non polar33892256
2,3-Diaminosalicylic acid,5TMS,isomer #1C[Si](C)(C)NC1=C(N([Si](C)(C)C)[Si](C)(C)C)C=CC(O[Si](C)(C)C)=C1C(=O)O[Si](C)(C)C2101.9Standard non polar33892256
2,3-Diaminosalicylic acid,5TMS,isomer #1C[Si](C)(C)NC1=C(N([Si](C)(C)C)[Si](C)(C)C)C=CC(O[Si](C)(C)C)=C1C(=O)O[Si](C)(C)C2153.2Standard polar33892256
2,3-Diaminosalicylic acid,5TMS,isomer #2C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C2239.1Semi standard non polar33892256
2,3-Diaminosalicylic acid,5TMS,isomer #2C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C2080.9Standard non polar33892256
2,3-Diaminosalicylic acid,5TMS,isomer #2C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C2151.8Standard polar33892256
2,3-Diaminosalicylic acid,5TMS,isomer #3C[Si](C)(C)OC1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=C1C(=O)O2170.7Semi standard non polar33892256
2,3-Diaminosalicylic acid,5TMS,isomer #3C[Si](C)(C)OC1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=C1C(=O)O2240.5Standard non polar33892256
2,3-Diaminosalicylic acid,5TMS,isomer #3C[Si](C)(C)OC1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=C1C(=O)O2092.6Standard polar33892256
2,3-Diaminosalicylic acid,5TMS,isomer #4C[Si](C)(C)OC(=O)C1=C(O)C=CC(N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C2149.3Semi standard non polar33892256
2,3-Diaminosalicylic acid,5TMS,isomer #4C[Si](C)(C)OC(=O)C1=C(O)C=CC(N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C2205.8Standard non polar33892256
2,3-Diaminosalicylic acid,5TMS,isomer #4C[Si](C)(C)OC(=O)C1=C(O)C=CC(N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C2109.0Standard polar33892256
2,3-Diaminosalicylic acid,6TMS,isomer #1C[Si](C)(C)OC(=O)C1=C(O[Si](C)(C)C)C=CC(N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C2279.0Semi standard non polar33892256
2,3-Diaminosalicylic acid,6TMS,isomer #1C[Si](C)(C)OC(=O)C1=C(O[Si](C)(C)C)C=CC(N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C2165.5Standard non polar33892256
2,3-Diaminosalicylic acid,6TMS,isomer #1C[Si](C)(C)OC(=O)C1=C(O[Si](C)(C)C)C=CC(N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C2082.4Standard polar33892256
2,3-Diaminosalicylic acid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC=C(N)C(N)=C1C(=O)O2214.4Semi standard non polar33892256
2,3-Diaminosalicylic acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1=C(O)C=CC(N)=C1N2187.1Semi standard non polar33892256
2,3-Diaminosalicylic acid,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=CC=C(O)C(C(=O)O)=C1N2317.8Semi standard non polar33892256
2,3-Diaminosalicylic acid,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=C(N)C=CC(O)=C1C(=O)O2308.7Semi standard non polar33892256
2,3-Diaminosalicylic acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=CC(N)=C1N2454.3Semi standard non polar33892256
2,3-Diaminosalicylic acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)=C1N2583.5Semi standard non polar33892256
2,3-Diaminosalicylic acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=C(N)C=CC(O[Si](C)(C)C(C)(C)C)=C1C(=O)O2539.1Semi standard non polar33892256
2,3-Diaminosalicylic acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=CC=C(O)C(C(=O)O[Si](C)(C)C(C)(C)C)=C1N2479.7Semi standard non polar33892256
2,3-Diaminosalicylic acid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=C(N)C=CC(O)=C1C(=O)O[Si](C)(C)C(C)(C)C2445.8Semi standard non polar33892256
2,3-Diaminosalicylic acid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=CC=C(O)C(C(=O)O)=C1N[Si](C)(C)C(C)(C)C2630.3Semi standard non polar33892256
2,3-Diaminosalicylic acid,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(C1=CC=C(O)C(C(=O)O)=C1N)[Si](C)(C)C(C)(C)C2561.1Semi standard non polar33892256
2,3-Diaminosalicylic acid,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(C1=C(N)C=CC(O)=C1C(=O)O)[Si](C)(C)C(C)(C)C2533.9Semi standard non polar33892256
2,3-Diaminosalicylic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)=C1N2745.1Semi standard non polar33892256
2,3-Diaminosalicylic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)=C1N2616.2Standard non polar33892256
2,3-Diaminosalicylic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)=C1N2937.0Standard polar33892256
2,3-Diaminosalicylic acid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC1=CC=C(O)C(C(=O)O)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2820.1Semi standard non polar33892256
2,3-Diaminosalicylic acid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC1=CC=C(O)C(C(=O)O)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2730.2Standard non polar33892256
2,3-Diaminosalicylic acid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC1=CC=C(O)C(C(=O)O)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2614.7Standard polar33892256
2,3-Diaminosalicylic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=C(N)C=CC(O[Si](C)(C)C(C)(C)C)=C1C(=O)O[Si](C)(C)C(C)(C)C2700.3Semi standard non polar33892256
2,3-Diaminosalicylic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=C(N)C=CC(O[Si](C)(C)C(C)(C)C)=C1C(=O)O[Si](C)(C)C(C)(C)C2592.8Standard non polar33892256
2,3-Diaminosalicylic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=C(N)C=CC(O[Si](C)(C)C(C)(C)C)=C1C(=O)O[Si](C)(C)C(C)(C)C2957.7Standard polar33892256
2,3-Diaminosalicylic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)=C1N[Si](C)(C)C(C)(C)C2848.5Semi standard non polar33892256
2,3-Diaminosalicylic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)=C1N[Si](C)(C)C(C)(C)C2675.0Standard non polar33892256
2,3-Diaminosalicylic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)=C1N[Si](C)(C)C(C)(C)C2668.7Standard polar33892256
2,3-Diaminosalicylic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)=C1C(=O)O2794.1Semi standard non polar33892256
2,3-Diaminosalicylic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)=C1C(=O)O2737.8Standard non polar33892256
2,3-Diaminosalicylic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)=C1C(=O)O2698.7Standard polar33892256
2,3-Diaminosalicylic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC=C(N)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1C(=O)O2792.0Semi standard non polar33892256
2,3-Diaminosalicylic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC=C(N)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1C(=O)O2719.1Standard non polar33892256
2,3-Diaminosalicylic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC=C(N)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1C(=O)O2726.6Standard polar33892256
2,3-Diaminosalicylic acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=CC=C(O)C(C(=O)O[Si](C)(C)C(C)(C)C)=C1N[Si](C)(C)C(C)(C)C2761.9Semi standard non polar33892256
2,3-Diaminosalicylic acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=CC=C(O)C(C(=O)O[Si](C)(C)C(C)(C)C)=C1N[Si](C)(C)C(C)(C)C2627.6Standard non polar33892256
2,3-Diaminosalicylic acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=CC=C(O)C(C(=O)O[Si](C)(C)C(C)(C)C)=C1N[Si](C)(C)C(C)(C)C2679.3Standard polar33892256
2,3-Diaminosalicylic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C1=C(O)C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N2737.2Semi standard non polar33892256
2,3-Diaminosalicylic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C1=C(O)C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N2677.9Standard non polar33892256
2,3-Diaminosalicylic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C1=C(O)C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N2741.4Standard polar33892256
2,3-Diaminosalicylic acid,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C1=C(O)C=CC(N)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2706.6Semi standard non polar33892256
2,3-Diaminosalicylic acid,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C1=C(O)C=CC(N)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2666.7Standard non polar33892256
2,3-Diaminosalicylic acid,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C1=C(O)C=CC(N)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2757.0Standard polar33892256
2,3-Diaminosalicylic acid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC(O)=C1C(=O)O2773.2Semi standard non polar33892256
2,3-Diaminosalicylic acid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC(O)=C1C(=O)O2689.6Standard non polar33892256
2,3-Diaminosalicylic acid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC(O)=C1C(=O)O2620.4Standard polar33892256
2,3-Diaminosalicylic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)=C1N[Si](C)(C)C(C)(C)C2992.8Semi standard non polar33892256
2,3-Diaminosalicylic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)=C1N[Si](C)(C)C(C)(C)C2802.2Standard non polar33892256
2,3-Diaminosalicylic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)=C1N[Si](C)(C)C(C)(C)C2748.0Standard polar33892256
2,3-Diaminosalicylic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N2986.0Semi standard non polar33892256
2,3-Diaminosalicylic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N2865.3Standard non polar33892256
2,3-Diaminosalicylic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N2801.7Standard polar33892256
2,3-Diaminosalicylic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=CC(N)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2947.5Semi standard non polar33892256
2,3-Diaminosalicylic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=CC(N)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2891.0Standard non polar33892256
2,3-Diaminosalicylic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=CC(N)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2820.6Standard polar33892256
2,3-Diaminosalicylic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC(O[Si](C)(C)C(C)(C)C)=C1C(=O)O3018.8Semi standard non polar33892256
2,3-Diaminosalicylic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC(O[Si](C)(C)C(C)(C)C)=C1C(=O)O2945.9Standard non polar33892256
2,3-Diaminosalicylic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC(O[Si](C)(C)C(C)(C)C)=C1C(=O)O2646.4Standard polar33892256
2,3-Diaminosalicylic acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3045.3Semi standard non polar33892256
2,3-Diaminosalicylic acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2936.9Standard non polar33892256
2,3-Diaminosalicylic acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2652.3Standard polar33892256
2,3-Diaminosalicylic acid,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC(O)=C1C(=O)O[Si](C)(C)C(C)(C)C2940.3Semi standard non polar33892256
2,3-Diaminosalicylic acid,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC(O)=C1C(=O)O[Si](C)(C)C(C)(C)C2887.1Standard non polar33892256
2,3-Diaminosalicylic acid,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC(O)=C1C(=O)O[Si](C)(C)C(C)(C)C2664.7Standard polar33892256
2,3-Diaminosalicylic acid,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=CC=C(O)C(C(=O)O[Si](C)(C)C(C)(C)C)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2960.5Semi standard non polar33892256
2,3-Diaminosalicylic acid,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=CC=C(O)C(C(=O)O[Si](C)(C)C(C)(C)C)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2900.7Standard non polar33892256
2,3-Diaminosalicylic acid,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=CC=C(O)C(C(=O)O[Si](C)(C)C(C)(C)C)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2655.3Standard polar33892256
2,3-Diaminosalicylic acid,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(C1=CC=C(O)C(C(=O)O)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2969.4Semi standard non polar33892256
2,3-Diaminosalicylic acid,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(C1=CC=C(O)C(C(=O)O)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2998.6Standard non polar33892256
2,3-Diaminosalicylic acid,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(C1=CC=C(O)C(C(=O)O)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2615.9Standard polar33892256
2,3-Diaminosalicylic acid,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC(O[Si](C)(C)C(C)(C)C)=C1C(=O)O[Si](C)(C)C(C)(C)C3179.5Semi standard non polar33892256
2,3-Diaminosalicylic acid,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC(O[Si](C)(C)C(C)(C)C)=C1C(=O)O[Si](C)(C)C(C)(C)C3019.5Standard non polar33892256
2,3-Diaminosalicylic acid,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC(O[Si](C)(C)C(C)(C)C)=C1C(=O)O[Si](C)(C)C(C)(C)C2706.3Standard polar33892256
2,3-Diaminosalicylic acid,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3189.4Semi standard non polar33892256
2,3-Diaminosalicylic acid,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3036.5Standard non polar33892256
2,3-Diaminosalicylic acid,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2708.6Standard polar33892256
2,3-Diaminosalicylic acid,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1C(=O)O3230.8Semi standard non polar33892256
2,3-Diaminosalicylic acid,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1C(=O)O3133.7Standard non polar33892256
2,3-Diaminosalicylic acid,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1C(=O)O2638.0Standard polar33892256
2,3-Diaminosalicylic acid,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C1=C(O)C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3141.0Semi standard non polar33892256
2,3-Diaminosalicylic acid,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C1=C(O)C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3133.9Standard non polar33892256
2,3-Diaminosalicylic acid,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C1=C(O)C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2653.6Standard polar33892256
2,3-Diaminosalicylic acid,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3398.5Semi standard non polar33892256
2,3-Diaminosalicylic acid,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3271.5Standard non polar33892256
2,3-Diaminosalicylic acid,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2733.8Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 2,3-Diaminosalicylic acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-0gi0-1900000000-82b7b23b34dfc505feb52017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2,3-Diaminosalicylic acid GC-MS (2 TMS) - 70eV, Positivesplash10-00dj-4090000000-fd57214b8fbedd353f5d2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2,3-Diaminosalicylic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2,3-Diaminosalicylic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,3-Diaminosalicylic acid 10V, Positive-QTOFsplash10-0uxr-0900000000-3a040dba48d90eb5979c2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,3-Diaminosalicylic acid 20V, Positive-QTOFsplash10-0udi-0900000000-17318e5f62e1f8e0d7862017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,3-Diaminosalicylic acid 40V, Positive-QTOFsplash10-0fai-9500000000-7cf47d38769e42454c092017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,3-Diaminosalicylic acid 10V, Negative-QTOFsplash10-00xr-0900000000-8363a72d2fa6a3585e512017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,3-Diaminosalicylic acid 20V, Negative-QTOFsplash10-05fr-0900000000-45cd257f912bdebab0f92017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,3-Diaminosalicylic acid 40V, Negative-QTOFsplash10-05fu-3900000000-90d531a7178019c2b48b2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,3-Diaminosalicylic acid 10V, Positive-QTOFsplash10-0udi-0900000000-57157a1d3e342be68deb2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,3-Diaminosalicylic acid 20V, Positive-QTOFsplash10-0udi-0900000000-e519d63780a0ebfe02032021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,3-Diaminosalicylic acid 40V, Positive-QTOFsplash10-0gi0-9100000000-5b9a0fdaff3d8f116c3e2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,3-Diaminosalicylic acid 10V, Negative-QTOFsplash10-00dj-0900000000-d6c652c6c581064141522021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,3-Diaminosalicylic acid 20V, Negative-QTOFsplash10-00di-0900000000-94d47d3d02965ad76a202021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2,3-Diaminosalicylic acid 40V, Negative-QTOFsplash10-0fk9-9500000000-9d30b00b6278dc8bc5c82021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot Available
Normal
      Not Available
 details
UrineDetected and Quantified0.04 umol/mmol creatinineAdult (>18 years old)BothNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB029315
KNApSAcK IDNot Available
Chemspider ID30776698
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound53481699
PDB IDNot Available
ChEBI ID88769
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