| Record Information |
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| Version | 1.0 |
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| Creation date | 2010-04-08 22:14:18 UTC |
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| Update date | 2019-11-26 03:17:25 UTC |
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| Primary ID | FDB019363 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | 4-O-(4-O-Methyl-alpha-D-glucopyranuronosyl)-L-arabinose |
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| Description | 4-O-(4-O-Methyl-alpha-D-glucopyranuronosyl)-L-arabinose belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond. 4-O-(4-O-Methyl-alpha-D-glucopyranuronosyl)-L-arabinose has been detected, but not quantified in, citrus and fruits. This could make 4-O-(4-O-methyl-alpha-D-glucopyranuronosyl)-L-arabinose a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 4-O-(4-O-Methyl-alpha-D-glucopyranuronosyl)-L-arabinose. |
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| CAS Number | Not Available |
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| Structure | |
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| Synonyms | |
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| Predicted Properties | |
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| Chemical Formula | C12H20O11 |
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| IUPAC name | 4,5-dihydroxy-3-methoxy-6-[(4,5,6-trihydroxyoxan-3-yl)oxy]oxane-2-carboxylic acid |
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| InChI Identifier | InChI=1S/C12H20O11/c1-20-8-5(14)7(16)12(23-9(8)10(17)18)22-3-2-21-11(19)6(15)4(3)13/h3-9,11-16,19H,2H2,1H3,(H,17,18) |
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| InChI Key | SCLWJHZCJVLFST-UHFFFAOYSA-N |
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| Isomeric SMILES | COC1C(O)C(O)C(OC2COC(O)C(O)C2O)OC1C(O)=O |
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| Average Molecular Weight | 340.2806 |
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| Monoisotopic Molecular Weight | 340.100561482 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an 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-glucuronides |
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| Alternative Parents | |
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| Substituents | - 1-o-glucuronide
- O-glucuronide
- Disaccharide
- Glycosyl compound
- O-glycosyl compound
- Pyran
- Oxane
- Hemiacetal
- Secondary alcohol
- Acetal
- Carboxylic acid derivative
- Carboxylic acid
- Dialkyl ether
- Ether
- Polyol
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Oxacycle
- Hydrocarbon derivative
- Carbonyl group
- Organic oxide
- 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: |
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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 | 4-O-(4-O-Methyl-alpha-D-glucopyranuronosyl)-L-arabinose, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-05fr-6895000000-f5b8b87c75255d3fa965 | Spectrum | | Predicted GC-MS | 4-O-(4-O-Methyl-alpha-D-glucopyranuronosyl)-L-arabinose, 4 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-03dr-5932448000-81bf6bfda0cec108c9b1 | Spectrum | | Predicted GC-MS | 4-O-(4-O-Methyl-alpha-D-glucopyranuronosyl)-L-arabinose, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | | Predicted GC-MS | 4-O-(4-O-Methyl-alpha-D-glucopyranuronosyl)-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 | splash10-0ff3-0905000000-d51a6911015a96444789 | 2016-06-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0f89-0900000000-755faf6656dc96cf8ed0 | 2016-06-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-6900000000-f3383d87c1dd0c56dab0 | 2016-06-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001a-3974000000-d84733d4edcc66f082dd | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-001s-2920000000-bcff5c5fe009e581a3ab | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-03di-6900000000-bd856d5517360425fc9a | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0029000000-4b88b96ef48392a193a6 | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4s-7952000000-204f663c4c697783c16b | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-9700000000-756fdeb187f449105160 | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-006x-0209000000-75e12f1fa9ad206019a3 | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-01ox-2901000000-32aad5ef8a905dba89a2 | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03dj-8920000000-b1ba0fdd307282042fc8 | 2021-09-22 | 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 | Not Available |
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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 | HMDB39725 |
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| CRC / DFC (Dictionary of Food Compounds) ID | PBG89-Y:LXB54-R |
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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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