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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2012-09-11 17:46:02 UTC

Update Date

2023-02-21 17:21:25 UTC

HMDB ID

HMDB0031864

Secondary Accession Numbers

HMDB31864

Metabolite Identification

Common Name

Methyleugenol

Description

Methyleugenol, also known as 4-allylveratrole or eugenol methyl, belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. FDA noted the action was despite its continuing stance that this substance does not pose a risk to public health under the conditions of its intended use. Methyleugenol is a sweet, anise, and apricot tasting compound. Methyleugenol is found, on average, in the highest concentration within a few different foods, such as allspices, tarragons, and sweet bay and in a lower concentration in sweet basils, rosemaries, and hyssops. Methyleugenol has also been detected, but not quantified, in several different foods, such as soy beans, evergreen blackberries, muskmelons, citrus, and pomes. This could make methyleugenol a potential biomarker for the consumption of these foods. As of October 2018, the US FDA withdrew authorization for the use of methyl eugenol as a synthetic flavoring substance for use in food because petitioners provided data demonstrating that these additives induce cancer in laboratory animals. Methyleugenol is formally rated as a possible carcinogen (by IARC 2B) and is also a potentially toxic compound. Methyl eugenol (allylveratrol) is a natural chemical compound classified as a phenylpropene, a type of phenylpropanoid. It is the methyl ether of eugenol and is important to insect behavior and pollination. Their ability to attract insects, particularly Bactrocera fruit flies was first noticed in 1915 by F. M. Howlett. The compound may have evolved in response to pathogens, as methyl eugenol has some antifungal activity. Methyl eugenol is found in a number of plants (over 450 species from 80 families including both angiosperm and gymnosperm families) and has a role in attracting pollinators. About 350 plant species have them as a component of floral fragrance.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  C   UNK     0       0.396   0.541   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.937   1.311   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.271   0.541   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.271  -0.999   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.937  -1.769   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.396  -0.999   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -3.605   1.311   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      -3.605  -1.769   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -4.938   0.541   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.939  -0.999   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.730   1.311   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.063   0.541   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.397   1.311   0.000  0.00  0.00           C+0
CONECT    1    2    6   11                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4    7                                                  
CONECT    4    3    5    8                                                  
CONECT    5    4    6                                                       
CONECT    6    5    1                                                       
CONECT    7    3    9                                                       
CONECT    8    4   10                                                       
CONECT    9    7                                                            
CONECT   10    8                                                            
CONECT   11    1   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12                                                            
MASTER        0    0    0    0    0    0    0    0   13    0   26    0
END

COMPND    HMDB0031864
HETATM    1  C1  UNL     1       4.152  -0.185  -0.482  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.154  -1.007  -0.186  1.00  0.00           C  
HETATM    3  C3  UNL     1       2.312  -0.811   1.031  1.00  0.00           C  
HETATM    4  C4  UNL     1       0.900  -0.620   0.605  1.00  0.00           C  
HETATM    5  C5  UNL     1       0.030  -1.687   0.460  1.00  0.00           C  
HETATM    6  C6  UNL     1      -1.279  -1.538   0.067  1.00  0.00           C  
HETATM    7  C7  UNL     1      -1.763  -0.255  -0.200  1.00  0.00           C  
HETATM    8  O1  UNL     1      -3.059  -0.015  -0.599  1.00  0.00           O  
HETATM    9  C8  UNL     1      -4.048  -0.979  -0.788  1.00  0.00           C  
HETATM   10  C9  UNL     1      -0.921   0.829  -0.065  1.00  0.00           C  
HETATM   11  O2  UNL     1      -1.406   2.125  -0.335  1.00  0.00           O  
HETATM   12  C10 UNL     1      -0.605   3.260  -0.217  1.00  0.00           C  
HETATM   13  C11 UNL     1       0.386   0.632   0.332  1.00  0.00           C  
HETATM   14  H1  UNL     1       4.383   0.645   0.144  1.00  0.00           H  
HETATM   15  H2  UNL     1       4.729  -0.369  -1.370  1.00  0.00           H  
HETATM   16  H3  UNL     1       2.908  -1.853  -0.812  1.00  0.00           H  
HETATM   17  H4  UNL     1       2.352  -1.726   1.627  1.00  0.00           H  
HETATM   18  H5  UNL     1       2.682   0.056   1.625  1.00  0.00           H  
HETATM   19  H6  UNL     1       0.366  -2.708   0.659  1.00  0.00           H  
HETATM   20  H7  UNL     1      -1.967  -2.358  -0.050  1.00  0.00           H  
HETATM   21  H8  UNL     1      -4.783  -0.567  -1.518  1.00  0.00           H  
HETATM   22  H9  UNL     1      -3.678  -1.970  -1.092  1.00  0.00           H  
HETATM   23  H10 UNL     1      -4.634  -1.147   0.163  1.00  0.00           H  
HETATM   24  H11 UNL     1       0.081   3.368  -1.083  1.00  0.00           H  
HETATM   25  H12 UNL     1      -0.033   3.227   0.734  1.00  0.00           H  
HETATM   26  H13 UNL     1      -1.293   4.150  -0.252  1.00  0.00           H  
HETATM   27  H14 UNL     1       1.033   1.504   0.432  1.00  0.00           H  
CONECT    1    2    2   14   15
CONECT    2    3   16
CONECT    3    4   17   18
CONECT    4    5    5   13
CONECT    5    6   19
CONECT    6    7    7   20
CONECT    7    8   10
CONECT    8    9
CONECT    9   21   22   23
CONECT   10   11   13   13
CONECT   11   12
CONECT   12   24   25   26
CONECT   13   27
END

View in JSmol View Stereo Labels

Synonyms

Value	Source
1,2-Dimethoxy-4-(2-propenyl)benzene	ChEBI
Eugenol methyl ether	ChEBI
Methyl eugenol	ChEBI
O-Methyleugenol	Kegg
Methyleugenol	ChEBI
1, 2-Dimethoxy-4-(2-propenyl)benzene	HMDB
1-(3, 4-Dimethoxyphenyl)-2-propene	HMDB
4-Allyl-1, 2-dimethoxybenzene	HMDB
4-Allyl-1,2-dimethoxy-benzene	HMDB
4-Allyl-1,2-dimethyoxybenzene	HMDB
4-Allylveratrole	HMDB
Allyl-1,2-dimethoxybenzene	HMDB
Benzene, 4-(2-propenyl)-1,2-dimethoxy	HMDB
Eugenol methyl	HMDB
FEMA 2475	HMDB
4-Allyl-1,2-dimethoxybenzene	MeSH
1-Allyl-3,4-dimethoxybenzene	MeSH
1,2-Dimethoxy-4-(2-propen-1-yl)benzene	PhytoBank
1,2-Dimethoxy-4-allylbenzene	PhytoBank
1,3,4-Eugenol methyl ether	PhytoBank
1-(3,4-Dimethoxyphenyl)-2-propene	PhytoBank
3,4-Dimethoxy-1-(2-propenyl)benzene	PhytoBank
3,4-Dimethoxyallylbenzene	PhytoBank
3-(3,4-Dimethoxyphenyl)-1-propene	PhytoBank
3-(3,4-Dimethoxyphenyl)propene	PhytoBank
Chavibetol methyl ether	PhytoBank
Eugenyl methyl ether	PhytoBank
Methyl eugenol ether	PhytoBank
Methyl eugenyl ether	PhytoBank
Methylchavibetol	PhytoBank
Veratrole methyl ether	PhytoBank

Chemical Formula

C₁₁H₁₄O₂

Average Molecular Weight

178.2277

Monoisotopic Molecular Weight

178.099379692

IUPAC Name

1,2-dimethoxy-4-(prop-2-en-1-yl)benzene

Traditional Name

methyl eugenol

CAS Registry Number

93-15-2

SMILES

COC1=C(OC)C=C(CC=C)C=C1

InChI Identifier

InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3

InChI Key

ZYEMGPIYFIJGTP-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Methoxybenzenes

Direct Parent

Dimethoxybenzenes

Alternative Parents

Substituents

O-dimethoxybenzene
Dimethoxybenzene
Phenoxy compound
Phenol ether
Anisole
Alkyl aryl ether
Ether
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

phenylpropanoid (CHEBI:4918 )
a small molecule (CPD-6482 )

Ontology

Sweet

Disposition

Biological location

Cellular substructure

Membrane (HMDB: HMDB0031864)
Cell membrane (HMDB: HMDB0031864)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0031864)

Source

Endogenous

Endogenous (HMDB: HMDB0031864)

Plant

Plant (HMDB: HMDB0031864)
Cucurbitaceae (HMDB: HMDB0031864)

Exogenous

Food

Food (HMDB: HMDB0031864)

Pulse

Bean

Mung bean (FooDB: FOOD00200)

Soy

Soy bean (FooDB: FOOD00085)

Vegetable

Root vegetable

Carrot (FooDB: FOOD00245)
Wild carrot (FooDB: FOOD00072)

Leaf vegetable

Rocket salad (ssp.) (FooDB: FOOD00077)

Gourd

Muskmelon (FooDB: FOOD00064)

Herb and spice

Spice

Herb

Herbs and Spices (FooDB: FOOD00866)

Fruit

Drupe

Sour cherry (FooDB: FOOD00146)

Pome

Pomes (FooDB: FOOD00856)

Citrus

Citrus (FooDB: FOOD00859)

Fruits (FooDB: FOOD00871)

Berry

Evergreen blackberry (FooDB: FOOD00901)
Blackberry (FooDB: FOOD00906)

Environmental

Tobacco Smoke (HMDB: HMDB0031864)

Synthetic

Personal care products

Personal care products (HMDB: HMDB0031864)

Process

Not Available

Role

Industrial application

Personal care product

Personal care product (HMDB: HMDB0031864)

Opioid analgesic (HMDB: HMDB0031864)
Central nervous system depressant (HMDB: HMDB0031864)
Fragrance (HMDB: HMDB0031864)

Agriculture

Pesticide

Fungicide (HMDB: HMDB0031864)
Nematicide (HMDB: HMDB0031864)

Pesticide (HMDB: HMDB0031864)

Manufacturing industry

Material processing agent

Solid material processing agent

Protective agent

Antioxidant (HMDB: HMDB0031864)
Antioxidant (HMDB: HMDB0031864)

Coloring agent

Fluorescent agent

Sedative (HMDB: HMDB0031864)

Pharmaceutical industry

Antidote (HMDB: HMDB0031864)

Antineoplastic agent

Cancer preventive (HMDB: HMDB0031864)

Food and nutrition

Food additive

Flavoring agent

Flavor (HMDB: HMDB0031864)

Food and nutrition (HMDB: HMDB0031864)

Biological role

Physical Properties

State

Liquid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	-4 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	0.5 mg/mL at 25 °C	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M-H]-	Baker	133.681	30932474
[M+H]+	Baker	138.943	30932474
[M-H]-	Not Available	133.681	http://allccs.zhulab.cn/database/detail?ID=AllCCS00001922
[M+H]+	Not Available	138.943	http://allccs.zhulab.cn/database/detail?ID=AllCCS00001922

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.19 g/L	ALOGPS
logP	2.99	ALOGPS
logP	2.76	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Basic)	-4.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	18.46 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	53.27 m³·mol⁻¹	ChemAxon
Polarizability	19.89 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	141.999	31661259
DarkChem	[M-H]-	139.081	31661259
DeepCCS	[M+H]+	141.474	30932474
DeepCCS	[M-H]-	137.98	30932474
DeepCCS	[M-2H]-	175.21	30932474
DeepCCS	[M+Na]+	150.748	30932474
AllCCS	[M+H]+	138.6	32859911
AllCCS	[M+H-H2O]+	134.2	32859911
AllCCS	[M+NH4]+	142.6	32859911
AllCCS	[M+Na]+	143.8	32859911
AllCCS	[M-H]-	140.1	32859911
AllCCS	[M+Na-2H]-	141.0	32859911
AllCCS	[M+HCOO]-	142.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Methyleugenol	COC1=C(OC)C=C(CC=C)C=C1	2025.8	Standard polar	33892256
Methyleugenol	COC1=C(OC)C=C(CC=C)C=C1	1362.0	Standard non polar	33892256
Methyleugenol	COC1=C(OC)C=C(CC=C)C=C1	1399.4	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - Methyleugenol EI-B (Non-derivatized)	splash10-004i-6900000000-24e258249ebb81a10db8	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Methyleugenol EI-B (Non-derivatized)	splash10-001i-6900000000-7eab85ab8f89486d0c67	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Methyleugenol EI-B (Non-derivatized)	splash10-004i-6900000000-511a7254b57b1693d125	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Methyleugenol EI-B (Non-derivatized)	splash10-004i-6900000000-6e7986f7be4dcc512bf5	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Methyleugenol EI-B (Non-derivatized)	splash10-001l-6900000000-0b489e050538331d3090	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Methyleugenol EI-B (Non-derivatized)	splash10-004i-6900000000-24e258249ebb81a10db8	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Methyleugenol EI-B (Non-derivatized)	splash10-001i-6900000000-7eab85ab8f89486d0c67	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Methyleugenol EI-B (Non-derivatized)	splash10-004i-6900000000-511a7254b57b1693d125	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Methyleugenol EI-B (Non-derivatized)	splash10-004i-6900000000-6e7986f7be4dcc512bf5	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Methyleugenol EI-B (Non-derivatized)	splash10-001l-6900000000-0b489e050538331d3090	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Methyleugenol GC-MS (Non-derivatized) - 70eV, Positive	splash10-03g0-1900000000-ef346d457b34fcee14be	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Methyleugenol GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Methyleugenol GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-004i-3900000000-6a0a17f77c5384cea66f	2014-09-20	Not Available	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Methyleugenol LC-ESI-qTof , Positive-QTOF	splash10-0006-0900000000-d41423501ff6a0caec1e	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Methyleugenol , positive-QTOF	splash10-006t-1910000000-c6bd5f4739dc2d3b4f99	2017-09-14	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methyleugenol 10V, Positive-QTOF	splash10-004i-0900000000-5bcc530b76def442eca8	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methyleugenol 20V, Positive-QTOF	splash10-004i-1900000000-7363ea03a8cd36e7f50a	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methyleugenol 40V, Positive-QTOF	splash10-0f6x-9600000000-8efff378856493d57d48	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methyleugenol 10V, Negative-QTOF	splash10-004i-0900000000-248b8d584ce0c311ffc0	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methyleugenol 20V, Negative-QTOF	splash10-004i-0900000000-8e61ac867ff1e4b6bdd8	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methyleugenol 40V, Negative-QTOF	splash10-07cr-4900000000-e8817397f71772abc175	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methyleugenol 10V, Negative-QTOF	splash10-004i-0900000000-583273c8100f9e55b4bd	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methyleugenol 20V, Negative-QTOF	splash10-004j-0900000000-2884ce971c57cbd816d5	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methyleugenol 40V, Negative-QTOF	splash10-02u9-9800000000-4811899c7b2ebb02f836	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methyleugenol 10V, Positive-QTOF	splash10-004i-0900000000-98bc20876c03ad8e0e92	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methyleugenol 20V, Positive-QTOF	splash10-0ufr-0900000000-ba7858c7a47bbfdf0ab3	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Methyleugenol 40V, Positive-QTOF	splash10-004i-9400000000-86967ab180df17622b53	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-04	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-04	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Membrane

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	34436864	details
Urine	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	34436864	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Methyl eugenol

METLIN ID

Not Available

PubChem Compound

7127

PDB ID

Not Available

ChEBI ID

4918

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Yano S, Suzuki Y, Yuzurihara M, Kase Y, Takeda S, Watanabe S, Aburada M, Miyamoto K: Antinociceptive effect of methyleugenol on formalin-induced hyperalgesia in mice. Eur J Pharmacol. 2006 Dec 28;553(1-3):99-103. Epub 2006 Sep 23. [PubMed:17049512 ]
(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for Methyleugenol (HMDB0031864)

MOL for HMDB0031864 (Methyleugenol)

3D MOL for HMDB0031864 (Methyleugenol)

3D SDF for HMDB0031864 (Methyleugenol)

3D-SDF for HMDB0031864 (Methyleugenol)

PDB for HMDB0031864 (Methyleugenol)

3D PDB for HMDB0031864 (Methyleugenol)

SMILES for HMDB0031864 (Methyleugenol)

INCHI for HMDB0031864 (Methyleugenol)

Structure for HMDB0031864 (Methyleugenol)

3D Structure for HMDB0031864 (Methyleugenol)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra