| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 17:02:24 UTC |
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| Updated at | 2021-01-04 18:49:25 UTC |
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| CannabisDB ID | CDB005846 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | Methoxymethylphenold |
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| Description | 2-(Methoxymethyl)phenol also known as Methoxymethylphenol belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene). 2-(Methoxymethyl)phenol is one of three structural isomers of methoxymethylphenol wherein the methoxymethyl group is substituted at three positions (the 2, 3, 4 positions) of the phenol ring. (Methoxymethyl)phenols are found in cannabis smoke. 2-(Methoxymethyl)phenol is formed during the combustion of cannabis ( Ref:DOI ). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C8H10O2 |
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| Average Molecular Weight | 138.17 |
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| Monoisotopic Molecular Weight | 138.0681 |
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| IUPAC Name | 2-(methoxymethyl)phenol |
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| Traditional Name | 2-(methoxymethyl)phenol |
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| CAS Registry Number | 32391-38-1 |
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| SMILES | COCC1=CC=CC=C1O |
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| InChI Identifier | InChI=1S/C8H10O2/c1-10-6-7-4-2-3-5-8(7)9/h2-5,9H,6H2,1H3 |
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| InChI Key | SSICPQZWCDZSQA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Classification | Not classified |
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| Ontology |
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|
Not Available | | Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | logP | Not Available | Not Available |
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| Predicted Properties | [] |
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| Spectra |
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| EI-MS/GC-MS | | Type | Description | Splash Key | View |
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| Predicted GC-MS | Methoxymethylphenold, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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| MS/MS | Not Available |
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| NMR | Not Available |
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| Pathways |
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| Pathways | Not Available |
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| Protein Targets |
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| Enzymes | Not Available |
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| Transporters | Not Available |
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| Metal Bindings | Not Available |
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| Receptors | Not Available |
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| Transcriptional Factors | Not Available |
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| Concentrations Data |
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| Not Available |
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| External Links |
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| HMDB ID | Not Available |
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| DrugBank ID | Not Available |
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| Phenol Explorer Compound ID | Not Available |
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| FoodDB ID | Not Available |
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| KNApSAcK ID | Not Available |
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| Chemspider ID | 158365 |
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| KEGG Compound ID | Not Available |
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| BioCyc ID | Not Available |
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| BiGG ID | Not Available |
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| Wikipedia Link | Not Available |
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| METLIN ID | Not Available |
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| PubChem Compound | 182079 |
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| PDB ID | Not Available |
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| ChEBI ID | Not Available |
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| References |
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| General References | Not Available |
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