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Showing metabocard for Methoxymalic acid (HMDB0302351)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-23 17:07:07 UTC
Update Date2021-09-23 17:07:07 UTC
HMDB IDHMDB0302351
Secondary Accession NumbersNone
Metabolite Identification
Common NameMethoxymalic acid
DescriptionMethoxymalic acid, also known as methoxymalate, belongs to dicarboxylic acids and derivatives class of compounds. Those are organic compounds containing exactly two carboxylic acid groups. Methoxymalic acid is soluble (in water) and an extremely strong acidic compound (based on its pKa). Methoxymalic acid can be found in oat, which makes methoxymalic acid a potential biomarker for the consumption of this food product.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0302351 (Methoxymalic acid)


  Mrv1533007301516532D          

 11 10  0  0  0  0            999 V2000
   -1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    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
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
  7  4  1  0  0  0  0
  8  5  2  0  0  0  0
  9  5  1  0  0  0  0
 10  1  1  0  0  0  0
 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
M  END
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3D MOL for HMDB0302351 (Methoxymalic acid)

HMDB0302351
     RDKit          3D
Methoxymalic acid
 16 15  0  0  0  0  0  0  0  0999 V2000
    2.6595   -0.4878    0.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4977   -0.8593   -0.4427 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2294   -0.2806   -0.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7242   -0.6918   -0.9826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0956   -0.3164   -1.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8205   -0.8913   -1.8919 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7618    0.5720   -0.2357 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0306    0.7017    0.8235 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1165    0.9719    1.4813 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1196    1.3601    1.1835 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4954   -1.1283   -0.1623 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6260   -0.7898    1.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9611    0.5571    0.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4184   -1.4537   -1.7348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5629    0.3490    0.3641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1131    2.3872    1.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  3  8  1  0
  8  9  2  0
  8 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  4 14  1  0
  7 15  1  0
 10 16  1  0
M  END
Download

3D SDF for HMDB0302351 (Methoxymalic acid)


  Mrv1533007301516532D          

 11 10  0  0  0  0            999 V2000
   -1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    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
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
  7  4  1  0  0  0  0
  8  5  2  0  0  0  0
  9  5  1  0  0  0  0
 10  1  1  0  0  0  0
 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0302351

> <DATABASE_NAME>
hmdb

> <SMILES>
[H]\C(C(O)=O)=C(/OC)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H6O5/c1-10-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+

> <INCHI_KEY>
AHJCDQGRYVBQQZ-NSCUHMNNSA-N

> <FORMULA>
C5H6O5

> <MOLECULAR_WEIGHT>
146.098

> <EXACT_MASS>
146.021523293

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
12.020593694653954

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2E)-2-methoxybut-2-enedioic acid

> <ALOGPS_LOGP>
0.03

> <JCHEM_LOGP>
-0.44674462333333353

> <ALOGPS_LOGS>
-0.53

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
5.8741490769988545

> <JCHEM_PKA_STRONGEST_ACIDIC>
-5.369050126418661

> <JCHEM_PKA_STRONGEST_BASIC>
2.064833941293788

> <JCHEM_POLAR_SURFACE_AREA>
83.83

> <JCHEM_REFRACTIVITY>
31.3256

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.27e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-2-methoxybut-2-enedioic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0302351 (Methoxymalic acid)

HMDB0302351
     RDKit          3D
Methoxymalic acid
 16 15  0  0  0  0  0  0  0  0999 V2000
    2.6595   -0.4878    0.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4977   -0.8593   -0.4427 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2294   -0.2806   -0.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7242   -0.6918   -0.9826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0956   -0.3164   -1.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8205   -0.8913   -1.8919 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7618    0.5720   -0.2357 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0306    0.7017    0.8235 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1165    0.9719    1.4813 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1196    1.3601    1.1835 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4954   -1.1283   -0.1623 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6260   -0.7898    1.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9611    0.5571    0.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4184   -1.4537   -1.7348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5629    0.3490    0.3641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1131    2.3872    1.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  3  8  1  0
  8  9  2  0
  8 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  4 14  1  0
  7 15  1  0
 10 16  1  0
M  END
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PDB for HMDB0302351 (Methoxymalic acid)

HEADER    PROTEIN                                 30-JUL-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   30-JUL-15         0                                  
HETATM    1  C   UNK     0      -2.310  -1.334   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.540   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.310   1.334   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.770   1.334   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       1.540   2.667   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       3.850   1.334   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      -2.310   1.334   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       0.000   2.667   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      -0.770  -1.334   0.000  0.00  0.00           O+0
HETATM   11  H   UNK     0       2.310  -1.334   0.000  0.00  0.00           H+0
CONECT    1   10                                                            
CONECT    2    3    4   11                                                  
CONECT    3    2    5   10                                                  
CONECT    4    2    6    7                                                  
CONECT    5    3    8    9                                                  
CONECT    6    4                                                            
CONECT    7    4                                                            
CONECT    8    5                                                            
CONECT    9    5                                                            
CONECT   10    1    3                                                       
CONECT   11    2                                                            
MASTER        0    0    0    0    0    0    0    0   11    0   20    0
END
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3D PDB for HMDB0302351 (Methoxymalic acid)

COMPND    HMDB0302351
HETATM    1  C1  UNL     1       2.659  -0.488   0.253  1.00  0.00           C  
HETATM    2  O1  UNL     1       1.498  -0.859  -0.443  1.00  0.00           O  
HETATM    3  C2  UNL     1       0.229  -0.281  -0.210  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.724  -0.692  -0.983  1.00  0.00           C  
HETATM    5  C4  UNL     1      -2.096  -0.316  -1.012  1.00  0.00           C  
HETATM    6  O2  UNL     1      -2.821  -0.891  -1.892  1.00  0.00           O  
HETATM    7  O3  UNL     1      -2.762   0.572  -0.236  1.00  0.00           O  
HETATM    8  C5  UNL     1       0.031   0.702   0.824  1.00  0.00           C  
HETATM    9  O4  UNL     1       1.116   0.972   1.481  1.00  0.00           O  
HETATM   10  O5  UNL     1      -1.120   1.360   1.184  1.00  0.00           O  
HETATM   11  H1  UNL     1       3.495  -1.128  -0.162  1.00  0.00           H  
HETATM   12  H2  UNL     1       2.626  -0.790   1.338  1.00  0.00           H  
HETATM   13  H3  UNL     1       2.961   0.557   0.127  1.00  0.00           H  
HETATM   14  H4  UNL     1      -0.418  -1.454  -1.735  1.00  0.00           H  
HETATM   15  H5  UNL     1      -3.563   0.349   0.364  1.00  0.00           H  
HETATM   16  H6  UNL     1      -1.113   2.387   1.102  1.00  0.00           H  
CONECT    1    2   11   12   13
CONECT    2    3
CONECT    3    4    4    8
CONECT    4    5   14
CONECT    5    6    6    7
CONECT    7   15
CONECT    8    9    9   10
CONECT   10   16
END
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SMILES for HMDB0302351 (Methoxymalic acid)

[H]\C(C(O)=O)=C(/OC)C(O)=O
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INCHI for HMDB0302351 (Methoxymalic acid)

InChI=1S/C5H6O5/c1-10-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+
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View in JSmolView Stereo Labels
Synonyms
ValueSource
(2E)-2-Methoxybut-2-enedioateGenerator
MethoxymalateGenerator
Chemical FormulaC5H6O5
Average Molecular Weight146.098
Monoisotopic Molecular Weight146.021523293
IUPAC Name(2E)-2-methoxybut-2-enedioic acid
Traditional Name(2E)-2-methoxybut-2-enedioic acid
CAS Registry NumberNot Available
SMILES
[H]\C(C(O)=O)=C(/OC)C(O)=O
InChI Identifier
InChI=1S/C5H6O5/c1-10-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+
InChI KeyAHJCDQGRYVBQQZ-NSCUHMNNSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassDicarboxylic acids and derivatives
Direct ParentDicarboxylic acids and derivatives
Alternative Parents
Substituents
  • Fatty acyl
  • Fatty acid
  • Unsaturated fatty acid
  • Dicarboxylic acid or derivatives
  • Vinylogous ester
  • Carboxylic acid
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • 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
logP0.03ALOGPS
logP-0.45ChemAxon
logS-0.53ALOGPS
pKa (Strongest Acidic)-5.4ChemAxon
pKa (Strongest Basic)2.06ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area83.83 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity31.33 m³·mol⁻¹ChemAxon
Polarizability12.02 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]+133.61332859911
AllCCS[M+H-H2O]+129.52732859911
AllCCS[M+Na]+138.51832859911
AllCCS[M+NH4]+137.4232859911
AllCCS[M-H]-124.83632859911
AllCCS[M+Na-2H]-127.05932859911
AllCCS[M+HCOO]-129.54332859911
DeepCCS[M+H]+130.11830932474
DeepCCS[M-H]-127.01130932474
DeepCCS[M-2H]-163.99330932474
DeepCCS[M+Na]+139.53230932474

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Predicted by Siyang on May 30, 202210.8494 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20222.6 minutes32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid925.5 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid392.6 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid64.9 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid244.4 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid69.7 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid290.9 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid300.8 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)624.5 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid719.7 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid134.9 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid952.7 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid222.6 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid306.2 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate826.6 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA286.7 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water456.3 seconds40023050

Predicted Kovats Retention Indices

Not Available
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methoxymalic acid 10V, Positive-QTOFsplash10-002b-0900000000-d225900e9d80360863eb2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methoxymalic acid 20V, Positive-QTOFsplash10-0fba-2900000000-fec57ecdc72ff1652a092016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methoxymalic acid 40V, Positive-QTOFsplash10-00di-9300000000-67f2bd0184faa5e23b8e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methoxymalic acid 10V, Negative-QTOFsplash10-0002-0900000000-86a79fdf6ae51ac078342016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methoxymalic acid 20V, Negative-QTOFsplash10-0udj-4900000000-a82c34a905a0c4f4c7702016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methoxymalic acid 40V, Negative-QTOFsplash10-0api-9100000000-cc9c2f0fb7b22f45fe322016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methoxymalic acid 10V, Positive-QTOFsplash10-004r-5900000000-07bb0808451743589b282021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methoxymalic acid 20V, Positive-QTOFsplash10-0kac-9200000000-d4cff5c85959600226e42021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methoxymalic acid 40V, Positive-QTOFsplash10-0016-9000000000-2cd2fae4ed034e988cc32021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methoxymalic acid 10V, Negative-QTOFsplash10-0pb9-6900000000-b5ba65d7e32b9ad094ba2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methoxymalic acid 20V, Negative-QTOFsplash10-0a4i-9100000000-e7531dfc883a673cc7502021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methoxymalic acid 40V, Negative-QTOFsplash10-0a4i-9000000000-ed00b66ee593c37a9c642021-10-21Wishart 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 IDFDB004235
KNApSAcK IDNot Available
Chemspider ID4518006
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5366084
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