Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:13:37 UTC |
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Update date | 2019-11-26 03:15:59 UTC |
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Primary ID | FDB018299 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | beta-D-Xylopyranosyl-(1->5)-alpha-L-arabinofuranosyl-(1->5)-L-arabinose |
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Description | beta-D-Xylopyranosyl-(1->5)-alpha-L-arabinofuranosyl-(1->5)-L-arabinose belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. beta-D-Xylopyranosyl-(1->5)-alpha-L-arabinofuranosyl-(1->5)-L-arabinose has been detected, but not quantified in, fruits. This could make beta-D-xylopyranosyl-(1->5)-alpha-L-arabinofuranosyl-(1->5)-L-arabinose a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on beta-D-Xylopyranosyl-(1->5)-alpha-L-arabinofuranosyl-(1->5)-L-arabinose. |
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CAS Number | 79403-08-0 |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C15H26O13 |
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IUPAC name | 2-({3,4-dihydroxy-5-[(3,4,5-trihydroxyoxolan-2-yl)methoxy]oxolan-2-yl}methoxy)oxane-3,4,5-triol |
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InChI Identifier | InChI=1S/C15H26O13/c16-4-1-24-14(11(21)7(4)17)25-3-6-9(19)12(22)15(28-6)26-2-5-8(18)10(20)13(23)27-5/h4-23H,1-3H2 |
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InChI Key | ILEPOIYJHJQWCK-UHFFFAOYSA-N |
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Isomeric SMILES | OC1OC(COC2OC(COC3OCC(O)C(O)C3O)C(O)C2O)C(O)C1O |
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Average Molecular Weight | 414.3591 |
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Monoisotopic Molecular Weight | 414.137340918 |
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Classification |
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Description | Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. |
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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 | O-glycosyl compounds |
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Alternative Parents | |
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Substituents | - O-glycosyl compound
- Disaccharide
- Oxane
- Tetrahydrofuran
- Secondary alcohol
- Hemiacetal
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Acetal
- Hydrocarbon derivative
- Alcohol
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic compounds |
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External Descriptors | Not Available |
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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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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | |
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Spectra |
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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 | beta-D-Xylopyranosyl-(1->5)-alpha-L-arabinofuranosyl-(1->5)-L-arabinose, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0f7k-2349000000-3177a3ee3f6caae5da8d | Spectrum | Predicted GC-MS | beta-D-Xylopyranosyl-(1->5)-alpha-L-arabinofuranosyl-(1->5)-L-arabinose, 3 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-02t9-2265219000-e5858c185f36924c388a | Spectrum | Predicted GC-MS | beta-D-Xylopyranosyl-(1->5)-alpha-L-arabinofuranosyl-(1->5)-L-arabinose, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-015a-0449300000-aae0af464b715932c9bc | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00lr-0941000000-6d8ae7c1ba698fba5792 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00ls-4921000000-017db4e2a1cac5470f4c | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03ea-3943500000-8149f3e0207703233b21 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-01qa-1941000000-c498308dfabe75837fc9 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9810000000-d5face120c97f866023a | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0229-1019200000-e921c512fcba1cfb1de4 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-053u-9511000000-5b0c536eb4d5c0081039 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-052f-9401000000-9cde6e6ec53a90c711d2 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0159-0393600000-d8acab273ffcf10a741e | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0019-1593100000-887457a671f87a16160d | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-014i-7910000000-21c885148b95ba0ff1de | 2021-09-25 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | Not Available |
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ChEMBL ID | Not Available |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | 88015 |
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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 | HMDB38860 |
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CRC / DFC (Dictionary of Food Compounds) ID | LJG16-M:LJG16-M |
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EAFUS ID | Not Available |
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Dr. Duke ID | Not Available |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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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 | Not Available |
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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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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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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 | |
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