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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (2) Show 2 proteins XML

enzymes (2) Show 2 proteins

Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2012-05-18 14:35:48 UTC

Update Date

2023-02-21 17:18:02 UTC

HMDB ID

HMDB0013744

Secondary Accession Numbers

HMDB13744

Metabolite Identification

Common Name

2-Methoxy-4-vinylphenol

Description

2-Methoxy-4-vinylphenol, also known as 4-hydroxy-3-methoxystyrene or 4-vinylguaiacol, belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. 2-Methoxy-4-vinylphenol exists in all eukaryotes, ranging from yeast to plants to humans. 2-Methoxy-4-vinylphenol is a clove, curry, and peanut tasting compound. 2-Methoxy-4-vinylphenol is found, on average, in the highest concentration within a few different foods, such as wild carrots (Daucus carota), carrots (Daucus carota ssp. sativus), and red wine and in a lower concentration in arabica coffees (Coffea arabica), kohlrabis (Brassica oleracea var. gongylodes), and beer. 2-Methoxy-4-vinylphenol has also been detected, but not quantified in, several different foods, such as oats (Avena sativa), tortilla, asparagus (Asparagus officinalis), spearmints (Mentha spicata), and tortilla chip. This could make 2-methoxy-4-vinylphenol a potential biomarker for the consumption of these foods. 2-Methoxy-4-vinylphenol is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on 2-Methoxy-4-vinylphenol.

Structure

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

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2-(4-Hydroxy-3-methoxyphenyl)ethene	ChEBI
2m4VP	ChEBI
4-Ethenyl-2-methoxyphenol	ChEBI
4-Hydroxy-3-methoxyphenylethene	ChEBI
4-Hydroxy-3-methoxystyrene	ChEBI
4-Hydroxy-3-methoxyvinylbenzene	ChEBI
4-Vinyl-2-methoxyphenol	ChEBI
4-Vinylguaiacol	ChEBI
O-Methoxy-p-vinylphenol	ChEBI
p-Vinylguaiacol	ChEBI
Para-vinylguaiacol	ChEBI
2-Methoxy-4-vinyl-phenol	HMDB
2-Methoxy-4-vinylphenol (4-vinylguaiacol)	HMDB
2-Methoxy-4-vinylphenol (vinylguaiacol)	HMDB
2-Methoxy-vinylphenol	HMDB
2-Metoxy-4-vinyl-phenol	HMDB
4-Ethenyl-2-methoxy-phenol	HMDB
4-Ethenylguaiacol	HMDB
4-Vinyl-2-methoxyphenol ( P-vinylguaiacol)	HMDB
4-Vinyl-2-methoxyphenol (4-vinylguaiacol)	HMDB
4-Vinyl-O-guaiacol	HMDB
4-Vinylguaiacole	HMDB
Guaiacol, 4-vinyl	HMDB
P-Vinyl guaicol	HMDB
Phenol, 2-methoxy-4-ethenyl	HMDB
Phenol, 4-vinyl, 2-methoxy	HMDB
Vinylguaiacol	HMDB
Vinylguaiacol (4-vinyl-2-methoxyphenol)	HMDB
Vinylguajacol	HMDB

Chemical Formula

C₉H₁₀O₂

Average Molecular Weight

150.1745

Monoisotopic Molecular Weight

150.068079564

IUPAC Name

4-ethenyl-2-methoxyphenol

Traditional Name

2-methoxy-4-vinyl-phenol

CAS Registry Number

7786-61-0

SMILES

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

InChI Identifier

InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3

InChI Key

YOMSJEATGXXYPX-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

Methoxyphenol
Phenoxy compound
Methoxybenzene
Styrene
Phenol ether
Anisole
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Monocyclic benzene moiety
Ether
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

phenols (CHEBI:42438 )
an aromatic compound (CPD-1072 )

Ontology

Cellular substructure

Membrane (HMDB: HMDB0013744)
Cell membrane (HMDB: HMDB0013744)

Excreta

Biofluid or Excreta

Urine (HMDB: HMDB0013744)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0013744)

Source

Endogenous

Endogenous (HMDB: HMDB0013744)

Plant

Exogenous

Food

Food (HMDB: HMDB0013744)

Asparagus (FooDB: FOOD00021)

Cabbage

Broccoli (FooDB: FOOD00034)
Cauliflower (FooDB: FOOD00031)

Root vegetable

Fruit vegetable

Garden tomato (var.) (FooDB: FOOD00173)

Stalk vegetable

Celery stalks (FooDB: FOOD00215)

Coffee and coffee product

Coffee

Cereal and cereal product

Cereal

Corn (FooDB: FOOD00205)
Oat (FooDB: FOOD00022)

Flat bread

Tortilla (FooDB: FOOD00709)

Fruit

Citrus

Sweet orange (FooDB: FOOD00057)
Citrus (FooDB: FOOD00859)

Berry

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

Herb and spice

Oilseed crop

Sesame (FooDB: FOOD00170)

Herb

Spearmint (FooDB: FOOD00112)

Snack

Tortilla chip (FooDB: FOOD00721)

Dish

Tex-mex cuisine

Taco (FooDB: FOOD00708)

Process

Not Available

Role

Biological role

Prostaglandin synthesis inhibitor (HMDB: HMDB0013744)
Hormone antagonist (HMDB: HMDB0013744)
Anti edemic (HMDB: HMDB0013744)
Anti-inflammatory (HMDB: HMDB0013744)
Pheromone (HMDB: HMDB0013744)

Industrial application

Food and nutrition

Food additive

Flavoring agent

Flavor (HMDB: HMDB0013744)

Fragrance (HMDB: HMDB0013744)

Pharmaceutical industry

Pharmaceutical (HMDB: HMDB0013744)

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	7.42 g/L	ALOGPS
logP	1.84	ALOGPS
logP	2.25	ChemAxon
logS	-1.3	ALOGPS
pKa (Strongest Acidic)	10.03	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	29.46 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	44.19 m³·mol⁻¹	ChemAxon
Polarizability	15.99 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	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]+	133.046	31661259
DarkChem	[M-H]-	132.091	31661259
DeepCCS	[M+H]+	133.655	30932474
DeepCCS	[M-H]-	130.993	30932474
DeepCCS	[M-2H]-	167.665	30932474
DeepCCS	[M+Na]+	142.661	30932474
AllCCS	[M+H]+	130.3	32859911
AllCCS	[M+H-H2O]+	125.7	32859911
AllCCS	[M+NH4]+	134.6	32859911
AllCCS	[M+Na]+	135.9	32859911
AllCCS	[M-H]-	128.7	32859911
AllCCS	[M+Na-2H]-	130.0	32859911
AllCCS	[M+HCOO]-	131.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
2-Methoxy-4-vinylphenol	COC1=CC(C=C)=CC=C1O	2127.9	Standard polar	33892256
2-Methoxy-4-vinylphenol	COC1=CC(C=C)=CC=C1O	1280.3	Standard non polar	33892256
2-Methoxy-4-vinylphenol	COC1=CC(C=C)=CC=C1O	1314.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
2-Methoxy-4-vinylphenol,1TMS,isomer #1	C=CC1=CC=C(O[Si](C)(C)C)C(OC)=C1	1409.6	Semi standard non polar	33892256
2-Methoxy-4-vinylphenol,1TBDMS,isomer #1	C=CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C1	1660.4	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - 2-Methoxy-4-vinylphenol EI-B (Non-derivatized)	splash10-0udr-6900000000-c95e8007869a915d6fe6	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - 2-Methoxy-4-vinylphenol EI-B (Non-derivatized)	splash10-0udr-6900000000-c95e8007869a915d6fe6	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-Methoxy-4-vinylphenol GC-MS (Non-derivatized) - 70eV, Positive	splash10-0uki-2900000000-6a52b2fb0cd2b1888cba	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-Methoxy-4-vinylphenol GC-MS (1 TMS) - 70eV, Positive	splash10-05fr-8970000000-109c9889992939114454	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-Methoxy-4-vinylphenol GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-0ug0-9700000000-32bccf98e351d8308924	2015-03-01	Not Available	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2-Methoxy-4-vinylphenol LC-ESI-QFT , positive-QTOF	splash10-000i-9800000000-56d5ac2538cf6e556070	2020-07-21	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2-Methoxy-4-vinylphenol LC-ESI-QTOF 35V, positive-QTOF	splash10-000i-9000000000-e8dab5adaa22e054ee21	2020-07-21	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2-Methoxy-4-vinylphenol LC-ESI-QFT , negative-QTOF	splash10-0a4i-0900000000-0ecf25f0ebb081e29570	2020-07-21	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2-Methoxy-4-vinylphenol LC-ESI-QTOF 35V, negative-QTOF	splash10-001i-0900000000-90c9c5c165a18a64dbb3	2020-07-21	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2-Methoxy-4-vinylphenol 35V, Negative-QTOF	splash10-001i-0900000000-90c9c5c165a18a64dbb3	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2-Methoxy-4-vinylphenol 35V, Positive-QTOF	splash10-000i-9100000000-4fc1449d3b5ebcebcddc	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2-Methoxy-4-vinylphenol 10V, Negative-QTOF	splash10-001i-0900000000-07c85f81abcab35c8c85	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2-Methoxy-4-vinylphenol 40V, Negative-QTOF	splash10-0c00-9200000000-e9c17a72d9b795c9cadc	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2-Methoxy-4-vinylphenol 20V, Negative-QTOF	splash10-001i-0900000000-142267324f6352c647e4	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Methoxy-4-vinylphenol 10V, Positive-QTOF	splash10-0udi-0900000000-9de02cce24e40d1314af	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Methoxy-4-vinylphenol 20V, Positive-QTOF	splash10-0udi-1900000000-04be6d79c3fa5851d78d	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Methoxy-4-vinylphenol 40V, Positive-QTOF	splash10-0fb9-9300000000-bab367ece5e140a11583	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Methoxy-4-vinylphenol 10V, Negative-QTOF	splash10-0002-0900000000-cd337f7259f32e912e8a	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Methoxy-4-vinylphenol 20V, Negative-QTOF	splash10-0002-0900000000-5cef2e884a5445e8509b	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Methoxy-4-vinylphenol 40V, Negative-QTOF	splash10-00o0-7900000000-27870d0d63eeb1b6290d	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Methoxy-4-vinylphenol 10V, Positive-QTOF	splash10-0uxr-1900000000-3df4f1c76f8984133ce7	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Methoxy-4-vinylphenol 20V, Positive-QTOF	splash10-0gdl-7900000000-5c60e1bd99afb019139f	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Methoxy-4-vinylphenol 40V, Positive-QTOF	splash10-0fb9-9000000000-51462e1d8e8381a72712	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Methoxy-4-vinylphenol 10V, Negative-QTOF	splash10-0002-0900000000-e0b12c10ffeec106d759	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Methoxy-4-vinylphenol 20V, Negative-QTOF	splash10-001i-1900000000-dae1e2e32bbe62db4e5a	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Methoxy-4-vinylphenol 40V, Negative-QTOF	splash10-014i-6900000000-c0a65988d269dc5278a8	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-03	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Membrane (predicted from logP)

Biospecimen Locations

Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	Zhang, S., Liu, L...	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	22284503	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Breast cancer	22284503	details

Associated Disorders and Diseases

Disease References

Perillyl alcohol administration for cancer treatment
Silva CL, Passos M, Camara JS: Solid phase microextraction, mass spectrometry and metabolomic approaches for detection of potential urinary cancer biomarkers--a powerful strategy for breast cancer diagnosis. Talanta. 2012 Jan 30;89:360-8. doi: 10.1016/j.talanta.2011.12.041. Epub 2011 Dec 22. [PubMed:22284503 ]

Associated OMIM IDs

None

External Links

DrugBank ID

DB03514

Phenol Explorer Compound ID

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

2-Methoxy-4-vinylphenol

METLIN ID

Not Available

PubChem Compound

332

PDB ID

Not Available

ChEBI ID

42438

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)

Download (PDF)

General References

Wagenstaller M, Buettner A: Quantitative determination of common urinary odorants and their glucuronide conjugates in human urine. Metabolites. 2013 Aug 7;3(3):637-57. doi: 10.3390/metabo3030637. [PubMed:24958143 ]

Enzymes

Enzyme Details

1. UDP-glucuronosyltransferase 1-1

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:: UGT1A1
Uniprot ID:: P22309
Molecular weight:: 59590.91

Reactions

2-Methoxy-4-vinylphenol → 6-(4-ethenyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	details

Enzyme Details

2. Sulfotransferase 1A3

General function:: sulfotransferase activity
Specific function:: Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) as sulfonate donor to catalyze the sulfate conjugation of phenolic monoamines (neurotransmitters such as dopamine, norepinephrine and serotonin) and phenolic and catechol drugs.
Gene Name:: SULT1A3
Uniprot ID:: P0DMM9
Molecular weight:: 34195.96

Reactions

2-Methoxy-4-vinylphenol → (4-ethenyl-2-methoxyphenyl)oxidanesulfonic acid	details

Showing metabocard for 2-Methoxy-4-vinylphenol (HMDB0013744)

MOL for HMDB0013744 (2-Methoxy-4-vinylphenol)

3D MOL for HMDB0013744 (2-Methoxy-4-vinylphenol)

3D SDF for HMDB0013744 (2-Methoxy-4-vinylphenol)

3D-SDF for HMDB0013744 (2-Methoxy-4-vinylphenol)

PDB for HMDB0013744 (2-Methoxy-4-vinylphenol)

3D PDB for HMDB0013744 (2-Methoxy-4-vinylphenol)

SMILES for HMDB0013744 (2-Methoxy-4-vinylphenol)

INCHI for HMDB0013744 (2-Methoxy-4-vinylphenol)

Structure for HMDB0013744 (2-Methoxy-4-vinylphenol)

3D Structure for HMDB0013744 (2-Methoxy-4-vinylphenol)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra

Enzymes

Reactions

Reactions