| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 17:02:30 UTC |
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| Updated at | 2021-01-04 18:49:25 UTC |
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| CannabisDB ID | CDB005847 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | Hydroxyfuroic acid |
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| Description | 3-Hydroxy-2-furancarboxylic acid also known as Hydroxyfuroic acid is a hydroxylated derivative of 2-Furoic acid in which the hydroxyl group positioning on C-3 of 2-Furoic acid. 3-Hydroxy-2-furancarboxylic acid belongs to the class of organic compounds known as furoic acids. These are organic compounds containing a furoic acid moiety, with a structure characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom. 3-Hydroxy-2-furancarboxylic acid is one of several structural isomers of hydroxyfuroic acid wherein the hydroxyl and carboxyl groups are substituted at different positions of the furan ring. Hydroxyfuroic acids are found in cannabis smoke. 3-Hydroxy-2-furancarboxylic acid 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 | C5H4O4 |
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| Average Molecular Weight | 128.08 |
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| Monoisotopic Molecular Weight | 128.011 |
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| IUPAC Name | 3-hydroxyfuran-2-carboxylic acid |
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| Traditional Name | 3-hydroxyfuran-2-carboxylic acid |
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| CAS Registry Number | 71278-16-5 |
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| SMILES | OC(=O)C1=C(O)C=CO1 |
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| InChI Identifier | InChI=1S/C5H4O4/c6-3-1-2-9-4(3)5(7)8/h1-2,6H,(H,7,8) |
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| InChI Key | ZEZWSSHHIPCGRN-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 | Hydroxyfuroic acid, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | | Predicted GC-MS | Hydroxyfuroic acid, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | | Predicted GC-MS | Hydroxyfuroic acid, 2 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 | 32994579 |
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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 | 56604079 |
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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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