| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:30:22 UTC |
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| Update date | 2017-01-19 02:36:21 UTC |
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| FoodComEx ID | PC000381 |
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| FoodDB Record | FDB022049 |
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| Chemical Information |
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| Name | 3-Furoic acid |
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| Description | 3-Furoic acid is an organic acid regularly occurring in urine of healthy individuals. (PMID 2338430). 3-Furoic acid is also a compound found in honey and honeydew samples (PMID 11403496), and is a structural analog of nicotinic acid (niacin, a vitamin of the B complex). (PMID 12563315) [HMDB] |
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| CAS Number | 488-93-7 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 3-Carboxyfuran | hmdb | | 3-Furancarboxylate | Generator | | 3-Furancarboxylic acid | ChEBI | | 3-Furanoate | hmdb | | 3-Furanoic acid | hmdb | | 3-Furoate | hmdb | | 3-Furoic acid | hmdb |
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| Chemical Formula | C5H4O3 |
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| IUPAC name | furan-3-carboxylic acid |
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| InChI Identifier | InChI=1S/C5H4O3/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7) |
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| InChI Key | IHCCAYCGZOLTEU-UHFFFAOYSA-N |
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| Isomeric SMILES | OC(=O)C1=COC=C1 |
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| Average Molecular Weight | 112.0835 |
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| Monoisotopic Molecular Weight | 112.016043994 |
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| Chemical Taxonomy |
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| Description | 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. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Furans |
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| Sub Class | Furoic acid and derivatives |
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| Direct Parent | Furoic acids |
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| Alternative Parents | |
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| Substituents | - Furan-3-carboxylic acid
- Furan-3-carboxylic acid or derivatives
- Furoic acid
- Heteroaromatic compound
- Oxacycle
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 1 g |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| AKSci | U453 |
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| MetaSci | HMDB0000444 |
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| Sigma-Aldrich | HMDB0000444 |
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| Toronto Research Chemicals | F863770 |
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