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Record Information |
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Version | 4.0 |
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Status | Detected and Quantified |
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Creation Date | 2012-09-11 17:52:39 UTC |
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Update Date | 2019-01-11 19:45:38 UTC |
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HMDB ID | HMDB0032914 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 2-Furancarboxaldehyde |
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Description | 2-Furancarboxaldehyde is found in allspice. 2-Furancarboxaldehyde is a flavour ingredient. 2-Furancarboxaldehyde is present in coffee, calamus, matsutake mushroom (Tricholoma matsutake), pumpkin, malt, peated malt, Bourbon vanilla, Lamb's lettuce, pimento leaf and various fruits, e.g. apple, apricot, sweet cherry, morello cherry, orange, grapefruit, Chinese quince and a common consit of essential oils.Furfural is an organic compound derived from a variety of agricultural byproducts, including corncobs, oat, wheat bran, and sawdust. (Wikipedia). |
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Structure | |
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Synonyms | Value | Source |
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2-Formylfuran | ChEBI | 2-Furaldehyde | ChEBI | 2-Furanaldehyde | ChEBI | 2-Furancarbonal | ChEBI | 2-Furyl-methanal | ChEBI | 2-Furylcarboxaldehyde | ChEBI | Furaldehyde | ChEBI | 2-Formyl furan | HMDB | 2-Formylofuran | HMDB | 2-Furaldehyde, 8ci | HMDB | 2-Furancarboxyaldehyde | HMDB | 2-Furfural | HMDB | 2-Furfuraldehyde | HMDB | 2-Furylaldehyde | HMDB | 2-Furylaldehyde xypropane | HMDB | 2-Furylmethanal | HMDB | a-Furfuraldehyde | HMDB | a-Furole | HMDB | alpha-Furfuraldehyde | HMDB | alpha-Furole | HMDB | FEMA 2489 | HMDB | Fural | HMDB | Furale | HMDB | Furan-2-aldehyde | HMDB | Furan-2-carbaldehyde | HMDB | Furan-2-carboxaldehyde | HMDB | Furancarbonal | HMDB | Furfural | HMDB | Furfuraldehyde | HMDB | Furfurale | HMDB | Furfuralu | HMDB | Furfurol | HMDB | Furfurole | HMDB | Furfurylaldehyde | HMDB | Furol | HMDB | Furole | HMDB | Furyl-methanal | HMDB |
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Chemical Formula | C5H4O2 |
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Average Molecular Weight | 96.0841 |
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Monoisotopic Molecular Weight | 96.021129372 |
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IUPAC Name | furan-2-carbaldehyde |
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Traditional Name | bran oil |
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CAS Registry Number | 98-01-1 |
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SMILES | O=CC1=CC=CO1 |
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InChI Identifier | InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H |
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InChI Key | HYBBIBNJHNGZAN-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | This compound belongs to the class of organic compounds known as aryl-aldehydes. These are compounds containing an aldehyde group directly attached to an aromatic ring. |
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Kingdom | Organic compounds |
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Super Class | Organooxygen compounds |
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Class | Carbonyl compounds |
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Sub Class | Aldehydes |
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Direct Parent | Aryl-aldehydes |
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Alternative Parents | |
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Substituents | - Aryl-aldehyde
- Heteroaromatic compound
- Furan
- Oxacycle
- Organoheterocyclic compound
- Hydrocarbon derivative
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic compounds |
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External Descriptors | |
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Ontology |
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Disposition | Route of exposure: Source: Biological location: |
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Role | Biological role: |
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Physical Properties |
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State | Liquid |
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Experimental Properties | Property | Value | Reference |
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Melting Point | -37 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 74.1 mg/mL at 25 °C | Not Available | LogP | 0.41 | Not Available |
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Predicted Properties | |
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Spectra | |
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Biological Properties |
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Cellular Locations | |
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Biospecimen Locations | |
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Tissue Locations | Not Available |
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Pathways | |
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Normal Concentrations |
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Feces | Detected but not Quantified | | Adult (>18 years old) | Both | Normal | | details | Feces | Detected and Quantified | 0-202530.908 nmol/g wet feces | Children (1-13 years old) | Not Specified | Normal | | details | Urine | Detected but not Quantified | | Adult (>18 years old) | Both | Normal | | details |
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Abnormal Concentrations |
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Feces | Detected but not Quantified | | Adult (>18 years old) | Both | Intestinal infections | | details | Feces | Detected but not Quantified | | Adult (>18 years old) | Both | Campylobacter jejuni infection | | details | Feces | Detected but not Quantified | | Adult (>18 years old) | Both | Clostridium difficile infection | | details | Feces | Detected but not Quantified | | Adult (>18 years old) | Both | Ulcerative Colitis | | details | Feces | Detected and Quantified | 0-72471.234 nmol/g wet feces | Children (1-13 years old) | Not Specified | Treated celiac disease | | details | Urine | Detected but not Quantified | | Adult (>18 years old) | Both | Breast cancer | | details |
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Associated Disorders and Diseases |
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Disease References | Ulcerative colitis |
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- Garner CE, Smith S, de Lacy Costello B, White P, Spencer R, Probert CS, Ratcliffe NM: Volatile organic compounds from feces and their potential for diagnosis of gastrointestinal disease. FASEB J. 2007 Jun;21(8):1675-88. Epub 2007 Feb 21. [PubMed:17314143 ]
| Celiac disease |
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- Di Cagno R, De Angelis M, De Pasquale I, Ndagijimana M, Vernocchi P, Ricciuti P, Gagliardi F, Laghi L, Crecchio C, Guerzoni ME, Gobbetti M, Francavilla R: Duodenal and faecal microbiota of celiac children: molecular, phenotype and metabolome characterization. BMC Microbiol. 2011 Oct 4;11:219. doi: 10.1186/1471-2180-11-219. [PubMed:21970810 ]
| Enteritis |
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- Probert CS, Jones PR, Ratcliffe NM: A novel method for rapidly diagnosing the causes of diarrhoea. Gut. 2004 Jan;53(1):58-61. [PubMed:14684577 ]
| Perillyl alcohol administration for cancer treatment |
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- 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 ]
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Associated OMIM IDs | |
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External Links |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FoodDB ID | FDB010897 |
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KNApSAcK ID | C00030331 |
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Chemspider ID | 13863629 |
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KEGG Compound ID | C14279 |
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BioCyc ID | CPD0-2357 |
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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 | 7362 |
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PDB ID | FU2 |
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ChEBI ID | 34768 |
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References |
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Synthesis Reference | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
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