Hmdb loader

Showing metabocard for 4-Methoxybenzaldehyde (HMDB0029686)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-11 17:32:03 UTC
Update Date2023-02-21 17:19:02 UTC
HMDB IDHMDB0029686
Secondary Accession Numbers
  • HMDB29686
Metabolite Identification
Common Name4-Methoxybenzaldehyde
Description4-Methoxybenzaldehyde, also known as 4-anisaldehyde or p-formylanisole, belongs to the class of organic compounds known as benzoyl derivatives, with the chemical formula CH3OC6H4CHO. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). Anisaldehyde is prepared commercially by oxidation of 4-methoxytoluene (p-cresyl methyl ether) using manganese dioxide to convert a methyl group to the aldehyde group. 4-Methoxybenzaldehyde is a sweet, almond, and anise tasting compound. 4-Methoxybenzaldehyde can be found, on average, in the highest concentration within a few different foods, such as cumins, star anises, and fennels. 4-Methoxybenzaldehyde has also been detected, but not quantified, in several different foods, such as cornmints, anises, herbs and spices, tarragons, and tea. The related ortho isomer has a scent of licorice. It is a colorless liquid with a strong aroma. A solution of para-anisaldehyde in acid and ethanol is a useful stain in thin layer chromatography. Different chemical compounds on the plate can give different colors, allowing easy distinction. It is used as an intermediate in the synthesis of other compounds important in pharmaceuticals and perfumery.
Structure
Data?1676999942
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0029686 (4-Methoxybenzaldehyde)


  Mrv1652305261923592D          

 10 10  0  0  0  0            999 V2000
   -0.3681    0.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3106    0.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0328    0.3846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750   -0.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3962   -0.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3260   -0.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3106    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4120    1.9395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3962   -1.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1189   -2.0196    0.0000 C   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
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
Download

3D MOL for HMDB0029686 (4-Methoxybenzaldehyde)

HMDB0029686
     RDKit          3D
4-Methoxybenzaldehyde
 18 18  0  0  0  0  0  0  0  0999 V2000
    3.2176   -0.3624   -0.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2992    0.7158   -0.0340 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9242    0.4756   -0.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0289    1.5257   -0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3346    1.3046   -0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8669    0.0320    0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3121   -0.1835    0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8257   -1.3269    0.0675 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9738   -1.0225    0.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3892   -0.7965    0.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2343    0.0052   -0.1511 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0842   -0.9852    0.9064 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9876   -1.0749   -0.8620 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4117    2.5383   -0.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0569    2.1256   -0.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9715    0.6701    0.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3525   -2.0276    0.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1170   -1.6133    0.0247 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
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  0
 10  3  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  4 14  1  0
  5 15  1  0
  7 16  1  0
  9 17  1  0
 10 18  1  0
M  END
Download

3D SDF for HMDB0029686 (4-Methoxybenzaldehyde)


  Mrv1652305261923592D          

 10 10  0  0  0  0            999 V2000
   -0.3681    0.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3106    0.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0328    0.3846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750   -0.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3962   -0.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3260   -0.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3106    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4120    1.9395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3962   -1.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1189   -2.0196    0.0000 C   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
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029686

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=CC=C(C=O)C=C1

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

> <INCHI_KEY>
ZRSNZINYAWTAHE-UHFFFAOYSA-N

> <FORMULA>
C8H8O2

> <MOLECULAR_WEIGHT>
136.1479

> <EXACT_MASS>
136.0524295

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
18

> <JCHEM_AVERAGE_POLARIZABILITY>
14.004704886707895

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-methoxybenzaldehyde

> <ALOGPS_LOGP>
1.64

> <JCHEM_LOGP>
1.5280768950000003

> <ALOGPS_LOGS>
-1.90

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.835276846406351

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
39.105199999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.71e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
anisaldehyde

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0029686 (4-Methoxybenzaldehyde)

HMDB0029686
     RDKit          3D
4-Methoxybenzaldehyde
 18 18  0  0  0  0  0  0  0  0999 V2000
    3.2176   -0.3624   -0.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2992    0.7158   -0.0340 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9242    0.4756   -0.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0289    1.5257   -0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3346    1.3046   -0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8669    0.0320    0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3121   -0.1835    0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8257   -1.3269    0.0675 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9738   -1.0225    0.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3892   -0.7965    0.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2343    0.0052   -0.1511 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0842   -0.9852    0.9064 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9876   -1.0749   -0.8620 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4117    2.5383   -0.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0569    2.1256   -0.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9715    0.6701    0.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3525   -2.0276    0.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1170   -1.6133    0.0247 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
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  0
 10  3  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  4 14  1  0
  5 15  1  0
  7 16  1  0
  9 17  1  0
 10 18  1  0
M  END
Download

PDB for HMDB0029686 (4-Methoxybenzaldehyde)

HEADER    PROTEIN                                 26-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-MAY-19         0                                  
HETATM    1  C   UNK     0      -0.687   0.671   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.580   1.463   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.928   0.718   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.007  -0.820   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.740  -1.612   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.609  -0.867   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.580   2.875   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -0.769   3.620   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       0.740  -3.024   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       2.089  -3.770   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3    7                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    9                                                  
CONECT    6    1    5                                                       
CONECT    7    2    8                                                       
CONECT    8    7                                                            
CONECT    9    5   10                                                       
CONECT   10    9                                                            
MASTER        0    0    0    0    0    0    0    0   10    0   20    0
END
Download

3D PDB for HMDB0029686 (4-Methoxybenzaldehyde)

COMPND    HMDB0029686
HETATM    1  C1  UNL     1       3.218  -0.362  -0.021  1.00  0.00           C  
HETATM    2  O1  UNL     1       2.299   0.716  -0.034  1.00  0.00           O  
HETATM    3  C2  UNL     1       0.924   0.476  -0.016  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.029   1.526  -0.028  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.335   1.305  -0.010  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.867   0.032   0.021  1.00  0.00           C  
HETATM    7  C6  UNL     1      -3.312  -0.183   0.039  1.00  0.00           C  
HETATM    8  O2  UNL     1      -3.826  -1.327   0.068  1.00  0.00           O  
HETATM    9  C7  UNL     1      -0.974  -1.023   0.033  1.00  0.00           C  
HETATM   10  C8  UNL     1       0.389  -0.797   0.015  1.00  0.00           C  
HETATM   11  H1  UNL     1       4.234   0.005  -0.151  1.00  0.00           H  
HETATM   12  H2  UNL     1       3.084  -0.985   0.906  1.00  0.00           H  
HETATM   13  H3  UNL     1       2.988  -1.075  -0.862  1.00  0.00           H  
HETATM   14  H4  UNL     1       0.412   2.538  -0.052  1.00  0.00           H  
HETATM   15  H5  UNL     1      -2.057   2.126  -0.020  1.00  0.00           H  
HETATM   16  H6  UNL     1      -3.972   0.670   0.029  1.00  0.00           H  
HETATM   17  H7  UNL     1      -1.352  -2.028   0.057  1.00  0.00           H  
HETATM   18  H8  UNL     1       1.117  -1.613   0.025  1.00  0.00           H  
CONECT    1    2   11   12   13
CONECT    2    3
CONECT    3    4    4   10
CONECT    4    5   14
CONECT    5    6    6   15
CONECT    6    7    9
CONECT    7    8    8   16
CONECT    9   10   10   17
CONECT   10   18
END
Download

SMILES for HMDB0029686 (4-Methoxybenzaldehyde)

COC1=CC=C(C=O)C=C1
Download

INCHI for HMDB0029686 (4-Methoxybenzaldehyde)

InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
Download
View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
4-AnisaldehydeChEBI
4-Methoxy-benzaldehydeChEBI
AnisalChEBI
p-AnisaldehydeChEBI
p-Anisic aldehydeChEBI
p-FormylanisoleChEBI
Para-anisaldehydeChEBI
4-Anisaldehyde, 1,2,3,4,5,6-(14)C6-labeledMeSH
4-Anisaldehyde, 18O-labeledMeSH
4-Anisaldehyde, formyl-(14)C-labeledMeSH
AnisaldehydeMeSH
p-MethoxybenzaldehydeMeSH
4-MethoxybenzaldehydeChEMBL, MeSH
Anisic aldehydeHMDB
AubepineHMDB
CrategineHMDB
FEMA 2670HMDB
ObepinHMDB
P-Anisaldehyde, 8ciHMDB
Chemical FormulaC8H8O2
Average Molecular Weight136.1479
Monoisotopic Molecular Weight136.0524295
IUPAC Name4-methoxybenzaldehyde
Traditional Nameanisaldehyde
CAS Registry Number123-11-5
SMILES
COC1=CC=C(C=O)C=C1
InChI Identifier
InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
InChI KeyZRSNZINYAWTAHE-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzoyl derivatives
Direct ParentBenzoyl derivatives
Alternative Parents
Substituents
  • Phenoxy compound
  • Methoxybenzene
  • Phenol ether
  • Benzoyl
  • Benzaldehyde
  • Anisole
  • Aryl-aldehyde
  • Alkyl aryl ether
  • Ether
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aldehyde
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effect
Organoleptic effect
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Industrial applicationBiological role
Physical Properties
StateLiquid
Experimental Molecular Properties
PropertyValueReference
Melting Point0 °CNot Available
Boiling Point248.00 to 249.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility4.29 mg/mL at 25 °CNot Available
LogP1.76Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.71 g/LALOGPS
logP1.64ALOGPS
logP1.53ChemAxon
logS-1.9ALOGPS
pKa (Strongest Basic)-4.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area26.3 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity39.11 m³·mol⁻¹ChemAxon
Polarizability14 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]+129.78431661259
DarkChem[M-H]-128.46831661259
DeepCCS[M+H]+129.19130932474
DeepCCS[M-H]-125.36130932474
DeepCCS[M-2H]-162.80730932474
DeepCCS[M+Na]+138.34630932474
AllCCS[M+H]+128.032859911
AllCCS[M+H-H2O]+123.332859911
AllCCS[M+NH4]+132.432859911
AllCCS[M+Na]+133.632859911
AllCCS[M-H]-127.132859911
AllCCS[M+Na-2H]-128.732859911
AllCCS[M+HCOO]-130.632859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.3.98 minutes32390414
Predicted by Siyang on May 30, 202213.4093 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20222.92 minutes32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid1652.5 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid493.3 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid175.7 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid312.4 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid180.7 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid486.2 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 Acid638.2 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)166.3 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid1107.3 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid390.9 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid1112.1 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid354.2 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid459.1 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate533.6 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA488.1 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water125.0 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
4-MethoxybenzaldehydeCOC1=CC=C(C=O)C=C12069.4Standard polar33892256
4-MethoxybenzaldehydeCOC1=CC=C(C=O)C=C11198.2Standard non polar33892256
4-MethoxybenzaldehydeCOC1=CC=C(C=O)C=C11246.5Semi standard non polar33892256
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen Locations
  • Saliva
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound ID727
FooDB IDFDB000872
KNApSAcK IDC00002636
Chemspider ID21105937
KEGG Compound IDC10761
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkAnisaldehyde
METLIN IDNot Available
PubChem Compound31244
PDB IDNot Available
ChEBI ID28235
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1001272
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .