| Record Information |
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| Version | 1.0 |
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| Creation date | 2010-04-08 22:09:32 UTC |
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| Update date | 2019-11-26 03:04:43 UTC |
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| Primary ID | FDB011251 |
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| Secondary Accession Numbers | |
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| Chemical Information |
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| FooDB Name | trans-10-Hydroxylinalyl oxide 7-glucoside |
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| Description | cis-10-Hydroxylinalyl oxide 7-glucoside 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. cis-10-Hydroxylinalyl oxide 7-glucoside has been detected, but not quantified in, herbs and spices. This could make cis-10-hydroxylinalyl oxide 7-glucoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on cis-10-Hydroxylinalyl oxide 7-glucoside. |
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| CAS Number | 219814-36-5 |
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| Structure | |
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| Synonyms | |
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| Predicted Properties | |
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| Chemical Formula | C16H28O8 |
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| IUPAC name | 2-({2-[5-ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol |
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| InChI Identifier | InChI=1S/C16H28O8/c1-4-16(8-18)6-5-10(23-16)15(2,3)24-14-13(21)12(20)11(19)9(7-17)22-14/h4,9-14,17-21H,1,5-8H2,2-3H3 |
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| InChI Key | QSBRHMSGMHEVKB-UHFFFAOYSA-N |
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| Isomeric SMILES | CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO)(O1)C=C |
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| Average Molecular Weight | 348.3887 |
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| Monoisotopic Molecular Weight | 348.178417872 |
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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
- Oxane
- Monosaccharide
- Tetrahydrofuran
- Secondary alcohol
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Ether
- Dialkyl ether
- Acetal
- Hydrocarbon derivative
- Primary alcohol
- 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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| Process | Naturally occurring process: |
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| Role | Industrial application: 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 | trans-10-Hydroxylinalyl oxide 7-glucoside, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00e9-9445000000-fa02731bf3708b6c0efa | Spectrum | | Predicted GC-MS | trans-10-Hydroxylinalyl oxide 7-glucoside, 4 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00di-3641369000-4205d4b9e0f3c1767f82 | Spectrum | | Predicted GC-MS | trans-10-Hydroxylinalyl oxide 7-glucoside, 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 | splash10-001a-1915000000-fe38674830f5ec1c5d9c | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-014r-1900000000-f8a5c6b78a231fb80bbd | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-014i-3900000000-165bdc1a7341f5da7b5c | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000b-2819000000-6ed0a46fcd8c7de596ef | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00kr-1901000000-1097cf1845f6392c8b0f | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4s-6900000000-3201987b33d9417f9eed | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-0009000000-5f7927db0af35608d502 | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00kb-7549000000-554afec898a9dfcbd218 | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-052f-9200000000-a2b429999906002805ce | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001j-0319000000-1768913f37f803241e62 | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0wms-3914000000-f0e2a9f655d8c45f1636 | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0007-9500000000-4f94a50a26d9d6c92bc8 | 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 | 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 | Not Available |
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| CRC / DFC (Dictionary of Food Compounds) ID | GJF95-B:GJO93-S |
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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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