Hmdb loader
Survey

Showing metabocard for 3-(5-Methyl-2-furyl)prop-2-enal (HMDB0032400)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:49:36 UTC
Update Date2023-02-21 17:22:03 UTC
HMDB IDHMDB0032400
Secondary Accession Numbers
  • HMDB32400
Metabolite Identification
Common Name3-(5-Methyl-2-furyl)prop-2-enal
Description3-(5-Methyl-2-furyl)prop-2-enal belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Based on a literature review very few articles have been published on 3-(5-Methyl-2-furyl)prop-2-enal.
Structure
Data?1677000123
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0032400 (3-(5-Methyl-2-furyl)prop-2-enal)


  Mrv0541 05061306302D          

 10 10  0  0  0  0            999 V2000
   -0.3297   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822    2.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822    3.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    3.5893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  7  4  2  0  0  0  0
  8  3  1  0  0  0  0
  8  5  2  0  0  0  0
  9  6  2  0  0  0  0
 10  7  1  0  0  0  0
 10  8  1  0  0  0  0
M  END
Download

3D MOL for HMDB0032400 (3-(5-Methyl-2-furyl)prop-2-enal)

HMDB0032400
     RDKit          3D
3-(5-Methyl-2-furyl)prop-2-enal
 18 18  0  0  0  0  0  0  0  0999 V2000
   -2.9161   -1.2471    0.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8186   -0.3525    0.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0322    0.8443   -0.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7816    1.3629   -0.7448 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1513    0.4754   -0.2549 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6222    0.6372   -0.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4535   -0.2532    0.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9024   -0.1272    0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6579   -1.0055    0.6053 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5255   -0.5060    0.2620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6521   -1.7513    1.5968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8438   -0.6971    0.8139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1142   -2.0722   -0.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0053    1.2842   -0.7349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5363    2.2902   -1.2389 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0132    1.5236   -0.7903 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0420   -1.1351    0.6368 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3831    0.7294   -0.3297 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
  6  7  2  0
  7  8  1  0
  8  9  2  0
  5 10  1  0
 10  2  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  4 15  1  0
  6 16  1  0
  7 17  1  0
  8 18  1  0
M  END
Download

3D SDF for HMDB0032400 (3-(5-Methyl-2-furyl)prop-2-enal)


  Mrv0541 05061306302D          

 10 10  0  0  0  0            999 V2000
   -0.3297   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822    2.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822    3.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    3.5893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  7  4  2  0  0  0  0
  8  3  1  0  0  0  0
  8  5  2  0  0  0  0
  9  6  2  0  0  0  0
 10  7  1  0  0  0  0
 10  8  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0032400

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1=CC=C(O1)\C=C\C=O

> <INCHI_IDENTIFIER>
InChI=1S/C8H8O2/c1-7-4-5-8(10-7)3-2-6-9/h2-6H,1H3/b3-2+

> <INCHI_KEY>
XYYLGSWUPMPWLD-NSCUHMNNSA-N

> <FORMULA>
C8H8O2

> <MOLECULAR_WEIGHT>
136.1479

> <EXACT_MASS>
136.0524295

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
14.566708455503033

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2E)-3-(5-methylfuran-2-yl)prop-2-enal

> <ALOGPS_LOGP>
1.41

> <JCHEM_LOGP>
1.2372779746666662

> <ALOGPS_LOGS>
-2.06

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.6246497871560055

> <JCHEM_POLAR_SURFACE_AREA>
30.21

> <JCHEM_REFRACTIVITY>
39.6751

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.20e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-3-(5-methylfuran-2-yl)prop-2-enal

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0032400 (3-(5-Methyl-2-furyl)prop-2-enal)

HMDB0032400
     RDKit          3D
3-(5-Methyl-2-furyl)prop-2-enal
 18 18  0  0  0  0  0  0  0  0999 V2000
   -2.9161   -1.2471    0.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8186   -0.3525    0.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0322    0.8443   -0.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7816    1.3629   -0.7448 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1513    0.4754   -0.2549 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6222    0.6372   -0.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4535   -0.2532    0.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9024   -0.1272    0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6579   -1.0055    0.6053 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5255   -0.5060    0.2620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6521   -1.7513    1.5968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8438   -0.6971    0.8139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1142   -2.0722   -0.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0053    1.2842   -0.7349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5363    2.2902   -1.2389 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0132    1.5236   -0.7903 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0420   -1.1351    0.6368 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3831    0.7294   -0.3297 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
  6  7  2  0
  7  8  1  0
  8  9  2  0
  5 10  1  0
 10  2  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  4 15  1  0
  6 16  1  0
  7 17  1  0
  8 18  1  0
M  END
Download

PDB for HMDB0032400 (3-(5-Methyl-2-furyl)prop-2-enal)

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -0.615  -1.536   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.393   4.390   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.060   3.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.830  -0.290   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.306   1.175   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.393   5.930   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.290  -0.290   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.060   2.080   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       1.060   6.700   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      -0.186   1.175   0.000  0.00  0.00           O+0
CONECT    1    7                                                            
CONECT    2    3    6                                                       
CONECT    3    2    8                                                       
CONECT    4    5    7                                                       
CONECT    5    4    8                                                       
CONECT    6    2    9                                                       
CONECT    7    1    4   10                                                  
CONECT    8    3    5   10                                                  
CONECT    9    6                                                            
CONECT   10    7    8                                                       
MASTER        0    0    0    0    0    0    0    0   10    0   20    0
END
Download

3D PDB for HMDB0032400 (3-(5-Methyl-2-furyl)prop-2-enal)

COMPND    HMDB0032400
HETATM    1  C1  UNL     1      -2.916  -1.247   0.625  1.00  0.00           C  
HETATM    2  C2  UNL     1      -1.819  -0.353   0.161  1.00  0.00           C  
HETATM    3  C3  UNL     1      -2.032   0.844  -0.485  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.782   1.363  -0.745  1.00  0.00           C  
HETATM    5  C5  UNL     1       0.151   0.475  -0.255  1.00  0.00           C  
HETATM    6  C6  UNL     1       1.622   0.637  -0.320  1.00  0.00           C  
HETATM    7  C7  UNL     1       2.454  -0.253   0.170  1.00  0.00           C  
HETATM    8  C8  UNL     1       3.902  -0.127   0.123  1.00  0.00           C  
HETATM    9  O1  UNL     1       4.658  -1.005   0.605  1.00  0.00           O  
HETATM   10  O2  UNL     1      -0.525  -0.506   0.262  1.00  0.00           O  
HETATM   11  H1  UNL     1      -2.652  -1.751   1.597  1.00  0.00           H  
HETATM   12  H2  UNL     1      -3.844  -0.697   0.814  1.00  0.00           H  
HETATM   13  H3  UNL     1      -3.114  -2.072  -0.095  1.00  0.00           H  
HETATM   14  H4  UNL     1      -3.005   1.284  -0.735  1.00  0.00           H  
HETATM   15  H5  UNL     1      -0.536   2.290  -1.239  1.00  0.00           H  
HETATM   16  H6  UNL     1       2.013   1.524  -0.790  1.00  0.00           H  
HETATM   17  H7  UNL     1       2.042  -1.135   0.637  1.00  0.00           H  
HETATM   18  H8  UNL     1       4.383   0.729  -0.330  1.00  0.00           H  
CONECT    1    2   11   12   13
CONECT    2    3    3   10
CONECT    3    4   14
CONECT    4    5    5   15
CONECT    5    6   10
CONECT    6    7    7   16
CONECT    7    8   17
CONECT    8    9    9   18
END
Download

SMILES for HMDB0032400 (3-(5-Methyl-2-furyl)prop-2-enal)

CC1=CC=C(O1)\C=C\C=O
Download

INCHI for HMDB0032400 (3-(5-Methyl-2-furyl)prop-2-enal)

InChI=1S/C8H8O2/c1-7-4-5-8(10-7)3-2-6-9/h2-6H,1H3/b3-2+
Download
View in JSmolView Stereo Labels
Synonyms
ValueSource
(e)-2-Methyl-3-(5-methyl-2-furyl)prop-2-enalHMDB
Chemical FormulaC8H8O2
Average Molecular Weight136.1479
Monoisotopic Molecular Weight136.0524295
IUPAC Name(2E)-3-(5-methylfuran-2-yl)prop-2-enal
Traditional Name(2E)-3-(5-methylfuran-2-yl)prop-2-enal
CAS Registry Number5555-90-8
SMILES
CC1=CC=C(O1)\C=C\C=O
InChI Identifier
InChI=1S/C8H8O2/c1-7-4-5-8(10-7)3-2-6-9/h2-6H,1H3/b3-2+
InChI KeyXYYLGSWUPMPWLD-NSCUHMNNSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassHeteroaromatic compounds
Sub ClassNot Available
Direct ParentHeteroaromatic compounds
Alternative Parents
Substituents
  • Heteroaromatic compound
  • Furan
  • Enal
  • Alpha,beta-unsaturated aldehyde
  • Oxacycle
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aldehyde
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Organoleptic effect
Disposition
Biological locationSource
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
Water Solubility1.2 g/LALOGPS
logP1.41ALOGPS
logP1.24ChemAxon
logS-2.1ALOGPS
pKa (Strongest Basic)-2.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area30.21 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity39.68 m³·mol⁻¹ChemAxon
Polarizability14.57 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+130.68531661259
DarkChem[M-H]-129.76631661259
DeepCCS[M+H]+129.65230932474
DeepCCS[M-H]-127.17130932474
DeepCCS[M-2H]-163.54330932474
DeepCCS[M+Na]+138.50530932474
AllCCS[M+H]+126.932859911
AllCCS[M+H-H2O]+122.232859911
AllCCS[M+NH4]+131.432859911
AllCCS[M+Na]+132.632859911
AllCCS[M-H]-126.132859911
AllCCS[M+Na-2H]-127.632859911
AllCCS[M+HCOO]-129.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
3-(5-Methyl-2-furyl)prop-2-enalCC1=CC=C(O1)\C=C\C=O1941.5Standard polar33892256
3-(5-Methyl-2-furyl)prop-2-enalCC1=CC=C(O1)\C=C\C=O1141.2Standard non polar33892256
3-(5-Methyl-2-furyl)prop-2-enalCC1=CC=C(O1)\C=C\C=O1204.3Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 3-(5-Methyl-2-furyl)prop-2-enal GC-MS (Non-derivatized) - 70eV, Positivesplash10-052r-9800000000-291bc0cd6ff9872ccccf2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3-(5-Methyl-2-furyl)prop-2-enal 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 - 3-(5-Methyl-2-furyl)prop-2-enal 10V, Positive-QTOFsplash10-000i-0900000000-f35fb6bfee8fe8479e1d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-(5-Methyl-2-furyl)prop-2-enal 20V, Positive-QTOFsplash10-00kr-5900000000-520c6e393f68943683842016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-(5-Methyl-2-furyl)prop-2-enal 40V, Positive-QTOFsplash10-0pb9-9200000000-98f122478fdb073bc2aa2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-(5-Methyl-2-furyl)prop-2-enal 10V, Negative-QTOFsplash10-000i-1900000000-a3f9fb7e31c20138a4872016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-(5-Methyl-2-furyl)prop-2-enal 20V, Negative-QTOFsplash10-000i-3900000000-a5879cbd9725632acb892016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-(5-Methyl-2-furyl)prop-2-enal 40V, Negative-QTOFsplash10-0f6x-9100000000-95e0e3178c3e81c6a0f92016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-(5-Methyl-2-furyl)prop-2-enal 10V, Negative-QTOFsplash10-000i-1900000000-9c21a3c1f026904c81d42021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-(5-Methyl-2-furyl)prop-2-enal 20V, Negative-QTOFsplash10-052o-9500000000-813c4a980537bd7f4ad62021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-(5-Methyl-2-furyl)prop-2-enal 40V, Negative-QTOFsplash10-014l-9000000000-7067121a69a3f9db6d1f2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-(5-Methyl-2-furyl)prop-2-enal 10V, Positive-QTOFsplash10-0frl-9500000000-08f87fa486b48d4ffcff2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-(5-Methyl-2-furyl)prop-2-enal 20V, Positive-QTOFsplash10-052g-9300000000-69893ebd43b9de40d6812021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-(5-Methyl-2-furyl)prop-2-enal 40V, Positive-QTOFsplash10-0udi-9000000000-7b99092251382432b0ac2021-09-24Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-04FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-04FELIX labView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
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 IDFDB009834
KNApSAcK IDNot Available
Chemspider ID9609842
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound11434978
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 References
  1. (). EAFUS: Everything Added to Food in the United States.. .