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Showing metabocard for (Z)-[(4-hydroxyphenyl)acetaldehyde oxime] (HMDB0304004)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-24 06:21:12 UTC
Update Date2021-09-24 06:21:13 UTC
HMDB IDHMDB0304004
Secondary Accession NumbersNone
Metabolite Identification
Common Name(Z)-[(4-hydroxyphenyl)acetaldehyde oxime]
Description(z)-[(4-hydroxyphenyl)acetaldehyde oxime] is a member of the class of compounds known as 1-hydroxy-2-unsubstituted benzenoids. 1-hydroxy-2-unsubstituted benzenoids are phenols that a unsubstituted at the 2-position (z)-[(4-hydroxyphenyl)acetaldehyde oxime] is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). (z)-[(4-hydroxyphenyl)acetaldehyde oxime] can be found in a number of food items such as sugar apple, chestnut, mandarin orange (clementine, tangerine), and gooseberry, which makes (z)-[(4-hydroxyphenyl)acetaldehyde oxime] a potential biomarker for the consumption of these food products.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0304004 ((Z)-[(4-hydroxyphenyl)acetaldehyde oxime])


  Mrv1533007131514062D          

 12 12  0  0  0  0            999 V2000
    1.4289   -0.0000    0.0000 C   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
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  6  5  1  0  0  0  0
  7  1  2  0  0  0  0
  7  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  2  0  0  0  0
  8  4  1  0  0  0  0
  9  6  2  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
M  END
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3D MOL for HMDB0304004 ((Z)-[(4-hydroxyphenyl)acetaldehyde oxime])

HMDB0304004
     RDKit          3D
(Z)-[(4-hydroxyphenyl)acetaldehyde oxime]
 20 20  0  0  0  0  0  0  0  0999 V2000
   -3.2521    1.7223   -0.2114 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0481    0.9283    0.8937 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -0.0903    0.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6512   -0.3789   -0.5803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1851   -0.3501   -0.3868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4648    0.8527   -0.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8322    0.9251   -0.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5716   -0.1824   -0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9524   -0.1512    0.1339 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9253   -1.3834    0.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5583   -1.4531   -0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0286    1.6055   -0.8466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0906   -0.7467    1.5890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0079   -1.3897   -0.8905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9413    0.4162   -1.2916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0838    1.7666   -0.8264 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3407    1.8927   -0.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4344    0.7218    0.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4571   -2.3036    0.3914 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0352   -2.4017    0.0826 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  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11  5  1  0
  1 12  1  0
  3 13  1  0
  4 14  1  0
  4 15  1  0
  6 16  1  0
  7 17  1  0
  9 18  1  0
 10 19  1  0
 11 20  1  0
M  END
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3D SDF for HMDB0304004 ((Z)-[(4-hydroxyphenyl)acetaldehyde oxime])


  Mrv1533007131514062D          

 12 12  0  0  0  0            999 V2000
    1.4289   -0.0000    0.0000 C   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
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  6  5  1  0  0  0  0
  7  1  2  0  0  0  0
  7  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  2  0  0  0  0
  8  4  1  0  0  0  0
  9  6  2  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0304004

> <DATABASE_NAME>
hmdb

> <SMILES>
[H]\C(CC1=CC=C(O)C=C1)=N\O

> <INCHI_IDENTIFIER>
InChI=1S/C8H9NO2/c10-8-3-1-7(2-4-8)5-6-9-11/h1-4,6,10-11H,5H2/b9-6-

> <INCHI_KEY>
TVXJJNJGTDWFLD-TWGQIWQCSA-N

> <FORMULA>
C8H9NO2

> <MOLECULAR_WEIGHT>
151.165

> <EXACT_MASS>
151.063328534

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
15.19230476059847

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-[(2Z)-2-(hydroxyimino)ethyl]phenol

> <ALOGPS_LOGP>
0.79

> <JCHEM_LOGP>
1.1582923173333333

> <ALOGPS_LOGS>
-2.12

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.63940303480169

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.365551234366478

> <JCHEM_PKA_STRONGEST_BASIC>
2.41310311095223

> <JCHEM_POLAR_SURFACE_AREA>
52.82000000000001

> <JCHEM_REFRACTIVITY>
42.2428

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.14e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-[(2Z)-2-(hydroxyimino)ethyl]phenol

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0304004 ((Z)-[(4-hydroxyphenyl)acetaldehyde oxime])

HMDB0304004
     RDKit          3D
(Z)-[(4-hydroxyphenyl)acetaldehyde oxime]
 20 20  0  0  0  0  0  0  0  0999 V2000
   -3.2521    1.7223   -0.2114 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0481    0.9283    0.8937 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -0.0903    0.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6512   -0.3789   -0.5803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1851   -0.3501   -0.3868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4648    0.8527   -0.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8322    0.9251   -0.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5716   -0.1824   -0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9524   -0.1512    0.1339 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9253   -1.3834    0.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5583   -1.4531   -0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0286    1.6055   -0.8466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0906   -0.7467    1.5890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0079   -1.3897   -0.8905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9413    0.4162   -1.2916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0838    1.7666   -0.8264 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3407    1.8927   -0.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4344    0.7218    0.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4571   -2.3036    0.3914 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0352   -2.4017    0.0826 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  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11  5  1  0
  1 12  1  0
  3 13  1  0
  4 14  1  0
  4 15  1  0
  6 16  1  0
  7 17  1  0
  9 18  1  0
 10 19  1  0
 11 20  1  0
M  END
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PDB for HMDB0304004 ((Z)-[(4-hydroxyphenyl)acetaldehyde oxime])

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       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      -0.000  -4.620   0.000  0.00  0.00           N+0
HETATM   10  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   12  H   UNK     0      -1.334  -2.310   0.000  0.00  0.00           H+0
CONECT    1    3    7                                                       
CONECT    2    4    7                                                       
CONECT    3    1    8                                                       
CONECT    4    2    8                                                       
CONECT    5    6    7                                                       
CONECT    6    5    9   12                                                  
CONECT    7    1    2    5                                                  
CONECT    8    3    4   10                                                  
CONECT    9    6   11                                                       
CONECT   10    8                                                            
CONECT   11    9                                                            
CONECT   12    6                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   24    0
END
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3D PDB for HMDB0304004 ((Z)-[(4-hydroxyphenyl)acetaldehyde oxime])

COMPND    HMDB0304004
HETATM    1  O1  UNL     1      -3.252   1.722  -0.211  1.00  0.00           O  
HETATM    2  N1  UNL     1      -3.048   0.928   0.894  1.00  0.00           N  
HETATM    3  C1  UNL     1      -2.283  -0.090   0.750  1.00  0.00           C  
HETATM    4  C2  UNL     1      -1.651  -0.379  -0.580  1.00  0.00           C  
HETATM    5  C3  UNL     1      -0.185  -0.350  -0.387  1.00  0.00           C  
HETATM    6  C4  UNL     1       0.465   0.853  -0.556  1.00  0.00           C  
HETATM    7  C5  UNL     1       1.832   0.925  -0.385  1.00  0.00           C  
HETATM    8  C6  UNL     1       2.572  -0.182  -0.047  1.00  0.00           C  
HETATM    9  O2  UNL     1       3.952  -0.151   0.134  1.00  0.00           O  
HETATM   10  C7  UNL     1       1.925  -1.383   0.122  1.00  0.00           C  
HETATM   11  C8  UNL     1       0.558  -1.453  -0.049  1.00  0.00           C  
HETATM   12  H1  UNL     1      -4.029   1.605  -0.847  1.00  0.00           H  
HETATM   13  H2  UNL     1      -2.091  -0.747   1.589  1.00  0.00           H  
HETATM   14  H3  UNL     1      -2.008  -1.390  -0.890  1.00  0.00           H  
HETATM   15  H4  UNL     1      -1.941   0.416  -1.292  1.00  0.00           H  
HETATM   16  H5  UNL     1      -0.084   1.767  -0.826  1.00  0.00           H  
HETATM   17  H6  UNL     1       2.341   1.893  -0.523  1.00  0.00           H  
HETATM   18  H7  UNL     1       4.434   0.722   0.013  1.00  0.00           H  
HETATM   19  H8  UNL     1       2.457  -2.304   0.391  1.00  0.00           H  
HETATM   20  H9  UNL     1       0.035  -2.402   0.083  1.00  0.00           H  
CONECT    1    2   12
CONECT    2    3    3
CONECT    3    4   13
CONECT    4    5   14   15
CONECT    5    6    6   11
CONECT    6    7   16
CONECT    7    8    8   17
CONECT    8    9   10
CONECT    9   18
CONECT   10   11   11   19
CONECT   11   20
END
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SMILES for HMDB0304004 ((Z)-[(4-hydroxyphenyl)acetaldehyde oxime])

[H]\C(CC1=CC=C(O)C=C1)=N\O
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INCHI for HMDB0304004 ((Z)-[(4-hydroxyphenyl)acetaldehyde oxime])

InChI=1S/C8H9NO2/c10-8-3-1-7(2-4-8)5-6-9-11/h1-4,6,10-11H,5H2/b9-6-
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View in JSmolView Stereo Labels
Synonyms
ValueSource
(Z)-4-Hydroxyphenylacetaldehyde-oximeChEBI
(Z)-[4-Hydroxyphenylacetaldehyde oxime]Kegg
Chemical FormulaC8H9NO2
Average Molecular Weight151.165
Monoisotopic Molecular Weight151.063328534
IUPAC Name4-[(2Z)-2-(hydroxyimino)ethyl]phenol
Traditional Name4-[(2Z)-2-(hydroxyimino)ethyl]phenol
CAS Registry NumberNot Available
SMILES
[H]\C(CC1=CC=C(O)C=C1)=N\O
InChI Identifier
InChI=1S/C8H9NO2/c10-8-3-1-7(2-4-8)5-6-9-11/h1-4,6,10-11H,5H2/b9-6-
InChI KeyTVXJJNJGTDWFLD-TWGQIWQCSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that are unsubstituted at the 2-position.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenols
Sub Class1-hydroxy-2-unsubstituted benzenoids
Direct Parent1-hydroxy-2-unsubstituted benzenoids
Alternative Parents
Substituents
  • 1-hydroxy-2-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Aldoxime
  • Oxime
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
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
logP0.79ALOGPS
logP1.16ChemAxon
logS-2.1ALOGPS
pKa (Strongest Acidic)9.37ChemAxon
pKa (Strongest Basic)2.41ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area52.82 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity42.24 m³·mol⁻¹ChemAxon
Polarizability15.19 ųChemAxon
Number of Rings1ChemAxon
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]+132.6132859911
AllCCS[M+H-H2O]+128.16332859911
AllCCS[M+Na]+137.95232859911
AllCCS[M+NH4]+136.75632859911
AllCCS[M-H]-131.40532859911
AllCCS[M+Na-2H]-132.69732859911
AllCCS[M+HCOO]-134.18132859911
DeepCCS[M+H]+137.06330932474
DeepCCS[M-H]-134.43230932474
DeepCCS[M-2H]-170.38630932474
DeepCCS[M+Na]+145.71130932474

Predicted Kovats Retention Indices

Not Available
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-[(4-hydroxyphenyl)acetaldehyde oxime] 10V, Negative-QTOFsplash10-0udi-0900000000-6c9a2fd226c8b955524c2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-[(4-hydroxyphenyl)acetaldehyde oxime] 20V, Negative-QTOFsplash10-0udi-2900000000-90010a35f1329e2425022019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-[(4-hydroxyphenyl)acetaldehyde oxime] 40V, Negative-QTOFsplash10-0a4i-4900000000-67277f674dc3df48b8e12019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-[(4-hydroxyphenyl)acetaldehyde oxime] 10V, Negative-QTOFsplash10-014i-2900000000-f2edb64ca5a9db31b4f12021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-[(4-hydroxyphenyl)acetaldehyde oxime] 20V, Negative-QTOFsplash10-0aor-1900000000-b6d15c36ed845af4d4582021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-[(4-hydroxyphenyl)acetaldehyde oxime] 40V, Negative-QTOFsplash10-014l-9800000000-ebc185ecb49db5ccc97a2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-[(4-hydroxyphenyl)acetaldehyde oxime] 10V, Positive-QTOFsplash10-0udi-0900000000-e9e22718ec92f59600c92019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-[(4-hydroxyphenyl)acetaldehyde oxime] 20V, Positive-QTOFsplash10-014i-0900000000-243512a26fc9d687fa942019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-[(4-hydroxyphenyl)acetaldehyde oxime] 40V, Positive-QTOFsplash10-004i-9300000000-580a7123a59b765f5d3a2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-[(4-hydroxyphenyl)acetaldehyde oxime] 10V, Positive-QTOFsplash10-0udi-0900000000-98b2921e245335c6e3ac2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-[(4-hydroxyphenyl)acetaldehyde oxime] 20V, Positive-QTOFsplash10-0aec-5900000000-38166eabd47d9958b5012021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-[(4-hydroxyphenyl)acetaldehyde oxime] 40V, Positive-QTOFsplash10-004i-9300000000-23ff783bbe87f98a7c222021-10-21Wishart 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 IDFDB030180
KNApSAcK IDNot Available
Chemspider ID4573578
KEGG Compound IDC04353
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID15667
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