Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:13:44 UTC |
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Update date | 2018-05-29 01:36:48 UTC |
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Primary ID | FDB018465 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | (3b,4b,5b)-4,5-Epoxy-p-menth-1-en-3-ol 3-glucoside |
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Description | (3b,4b,5b)-4,5-Epoxy-p-menth-1-en-3-ol 3-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. Based on a literature review very few articles have been published on (3b,4b,5b)-4,5-Epoxy-p-menth-1-en-3-ol 3-glucoside. |
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CAS Number | 359875-79-9 |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C16H26O7 |
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IUPAC name | 2-(hydroxymethyl)-6-{[4-methyl-1-(propan-2-yl)-7-oxabicyclo[4.1.0]hept-3-en-2-yl]oxy}oxane-3,4,5-triol |
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InChI Identifier | InChI=1S/C16H26O7/c1-7(2)16-10(4-8(3)5-11(16)23-16)22-15-14(20)13(19)12(18)9(6-17)21-15/h4,7,9-15,17-20H,5-6H2,1-3H3 |
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InChI Key | BMTDVVBLRDGOJT-UHFFFAOYSA-N |
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Isomeric SMILES | CC(C)C12OC1CC(C)=CC2OC1OC(CO)C(O)C(O)C1O |
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Average Molecular Weight | 330.3734 |
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Monoisotopic Molecular Weight | 330.167853186 |
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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
- Secondary alcohol
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Ether
- Oxirane
- Dialkyl ether
- Acetal
- Hydrocarbon derivative
- Primary alcohol
- Alcohol
- Aliphatic heteropolycyclic compound
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Molecular Framework | Aliphatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Disposition | 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 | (3b,4b,5b)-4,5-Epoxy-p-menth-1-en-3-ol 3-glucoside, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-08mr-9342000000-ba096c5ac61c42e45599 | Spectrum | Predicted GC-MS | (3b,4b,5b)-4,5-Epoxy-p-menth-1-en-3-ol 3-glucoside, 4 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0udi-5300149000-0cf56eea14676740e89e | Spectrum | Predicted GC-MS | (3b,4b,5b)-4,5-Epoxy-p-menth-1-en-3-ol 3-glucoside, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | (3b,4b,5b)-4,5-Epoxy-p-menth-1-en-3-ol 3-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 | splash10-0159-0905000000-751d546c5c60901559c2 | 2016-06-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-014i-1900000000-a409108f5f2069b55062 | 2016-06-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0uxr-3900000000-d5358514eb6b7d265618 | 2016-06-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00or-2918000000-7e43da783cc2204f796e | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-014i-1901000000-b59e04a07d4ad09c7ffc | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-014i-4900000000-fd2f43f9cc5f6332b58f | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00lr-0709000000-6972869a3e0bc28c7196 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-1649000000-83303a1f88a2cf7a1301 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0bu0-7942000000-5c70e05c81562f2bb86c | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0009000000-fa5cbf591b83a4bb3b84 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-4639000000-5e5dca32810d5b1b54f8 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-05i0-5900000000-b11eaba8a244fb9f29d1 | 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 | HMDB38979 |
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CRC / DFC (Dictionary of Food Compounds) ID | LHY87-G:LKY90-X |
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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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