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 03:04:42 UTC |
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Primary ID | FDB011229 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | 1,8-Epoxy-p-menthan-4-ol glucoside |
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Description | 1,8-Epoxy-p-menthan-4-ol glucoside belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Based on a literature review a significant number of articles have been published on 1,8-Epoxy-p-menthan-4-ol glucoside. |
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CAS Number | 219546-79-9 |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C16H28O7 |
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IUPAC name | 2-(hydroxymethyl)-6-({1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl}oxy)oxane-3,4,5-triol |
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InChI Identifier | InChI=1S/C16H28O7/c1-14(2)16(6-4-15(3,23-14)5-7-16)22-13-12(20)11(19)10(18)9(8-17)21-13/h9-13,17-20H,4-8H2,1-3H3 |
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InChI Key | XFTUHHQPFOUYRF-UHFFFAOYSA-N |
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Isomeric SMILES | CC1(C)OC2(C)CCC1(CC2)OC1OC(CO)C(O)C(O)C1O |
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Average Molecular Weight | 332.3893 |
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Monoisotopic Molecular Weight | 332.18350325 |
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Classification |
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Description | Belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Terpene glycosides |
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Direct Parent | Terpene glycosides |
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Alternative Parents | |
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Substituents | - Terpene glycoside
- Hexose monosaccharide
- Glycosyl compound
- O-glycosyl compound
- Bicyclic monoterpenoid
- P-menthane monoterpenoid
- Monoterpenoid
- Monosaccharide
- Oxane
- Secondary alcohol
- Acetal
- Dialkyl ether
- Ether
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Hydrocarbon derivative
- Organic oxygen compound
- Alcohol
- Primary alcohol
- Organooxygen compound
- 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 | Route of exposure: Biological location: Source: |
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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 | 1,8-Epoxy-p-menthan-4-ol glucoside, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-084r-9335000000-f715d0ceaad0a730b686 | Spectrum | Predicted GC-MS | 1,8-Epoxy-p-menthan-4-ol glucoside, 4 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0a4i-1111139000-ac53931745b0f3819724 | Spectrum | Predicted GC-MS | 1,8-Epoxy-p-menthan-4-ol 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 | splash10-00e9-0905000000-41caa84d6d1b96facec4 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00di-0900000000-947cee01f4a07c0068ea | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0uk9-1900000000-178c089e4e822fb918a6 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00lr-2918000000-98146f4523711350efe6 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-014i-1901000000-e4da89102708d465cf70 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0uxr-3900000000-134f2877105870dfcd89 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00e9-0905000000-b4110d36609174ade75f | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0uk9-0900000000-c88e65704cc1af7706c3 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a59-1900000000-d459d20fcd1299d6f8df | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-0109000000-facd60ef3b6bbc34eeeb | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-001i-1519000000-35961545f137e141f3e0 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-014i-1900000000-ce3262876ebe951ee4ce | 2021-09-24 | 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 | HMDB33215 |
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CRC / DFC (Dictionary of Food Compounds) ID | GHJ45-S:GHM65-N |
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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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