| Record Information |
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| Version | 1.0 |
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| Creation date | 2010-04-08 22:05:27 UTC |
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| Update date | 2019-08-01 18:41:08 UTC |
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| Primary ID | FDB002626 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | Dhurrin |
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| Description | Taxiphyllin belongs to the class of organic compounds known as cyanogenic glycosides. These are glycosides in which the aglycone moiety contains a cyanide group. Taxiphyllin has been detected, but not quantified in, several different foods, such as red rice (Oryza rufipogon), soy beans (Glycine max), yellow wax beans (Phaseolus vulgaris), common thymes (Thymus vulgaris), and wasabis (Wasabia japonica). This could make taxiphyllin a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Taxiphyllin. |
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| CAS Number | 21401-21-8 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| Not Available | Not Available |
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| Predicted Properties | Not Available |
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| Chemical Formula | C14H17NO7 |
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| IUPAC name | |
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| InChI Identifier | InChI=1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2 |
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| InChI Key | NVLTYOJHPBMILU-UHFFFAOYSA-N |
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| Isomeric SMILES | OCC1OC(OC(C#N)C2=CC=C(O)C=C2)C(O)C(O)C1O |
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| Average Molecular Weight | 311.2873 |
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| Monoisotopic Molecular Weight | 311.100501903 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as cyanogenic glycosides. These are glycosides in which the aglycone moiety contains a cyanide group. |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organooxygen compounds |
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| Sub Class | Carbohydrates and carbohydrate conjugates |
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| Direct Parent | Cyanogenic glycosides |
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| Alternative Parents | |
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| Substituents | - Cyanogenic glycoside
- Hexose monosaccharide
- O-glycosyl compound
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Monocyclic benzene moiety
- Monosaccharide
- Oxane
- Benzenoid
- Secondary alcohol
- Polyol
- Oxacycle
- Nitrile
- Carbonitrile
- Acetal
- Organoheterocyclic compound
- Organonitrogen compound
- Hydrocarbon derivative
- Alcohol
- Organopnictogen compound
- Organic nitrogen compound
- Primary alcohol
- 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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| Ontology | No ontology term |
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| Physico-Chemical Properties |
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| Physico-Chemical Properties - Experimental | | Property | Value | Reference |
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| Physical state | Not Available | |
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| Physical Description | Not Available | |
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| Mass Composition | C 54.02%; H 5.50%; N 4.50%; O 35.98% | DFC |
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| Melting Point | Mp 165° | DFC |
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| Boiling Point | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Experimental logP | Not Available | |
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| Experimental pKa | Not Available | |
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| Isoelectric point | Not Available | |
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| Charge | Not Available | |
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| Optical Rotation | Not Available | |
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| Spectroscopic UV Data | [neutral] lmax 228 (e 13000) (MeOH) (Berdy) | DFC |
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| Density | Not Available | |
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| Refractive Index | Not Available | |
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| Spectra |
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| Spectra | |
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| EI-MS/GC-MS | Not Available |
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| MS/MS | Not Available |
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| NMR | Not Available |
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| External Links |
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| ChemSpider ID | 3673919 |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | C01855 |
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| Pubchem Compound ID | 4475719 |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | Not Available |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB30704 |
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| CRC / DFC (Dictionary of Food Compounds) ID | DZM59-D:CMS66-J |
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| EAFUS ID | Not Available |
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| Dr. Duke ID | DHURRIN |
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| BIGG ID | Not Available |
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| KNApSAcK ID | C00001442 |
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| HET ID | Not Available |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | Not Available |
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| Flavornet ID | Not Available |
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| GoodScent ID | Not Available |
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| SuperScent ID | Not Available |
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| Wikipedia ID | Dhurrin |
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| Phenol-Explorer Metabolite ID | Not Available |
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| Duplicate IDS | Not Available |
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| Old DFC IDS | Not Available |
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| Associated Foods |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | |
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| Enzymes | Not Available |
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| Pathways | Not Available |
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| Metabolism | Not Available |
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| Biosynthesis | Not Available |
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| Organoleptic Properties |
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| Flavours | Not Available |
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| Files |
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| MSDS | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| General Reference | Not Available |
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| Content Reference | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
— Shinbo, Y., et al. 'KNApSAcK: a comprehensive species-metabolite relationship database.' Plant Metabolomics. Springer Berlin Heidelberg, 2006. 165-181.
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