Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:13:47 UTC |
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Update date | 2019-11-26 03:16:19 UTC |
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Primary ID | FDB018554 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | (4S,6R)-p-Mentha-1,8-diene-6,7-diol 7-glucoside |
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Description | (4S,6R)-p-Mentha-1,8-diene-6,7-diol 7-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 small amount of articles have been published on (4S,6R)-p-Mentha-1,8-diene-6,7-diol 7-glucoside. |
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CAS Number | 402593-54-8 |
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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-{[6-hydroxy-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol |
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InChI Identifier | InChI=1S/C16H26O7/c1-8(2)9-3-4-10(11(18)5-9)7-22-16-15(21)14(20)13(19)12(6-17)23-16/h4,9,11-21H,1,3,5-7H2,2H3 |
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InChI Key | FOPFIQVPEVWICE-UHFFFAOYSA-N |
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Isomeric SMILES | CC(=C)C1CC=C(COC2OC(CO)C(O)C(O)C2O)C(O)C1 |
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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 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
- Monocyclic monoterpenoid
- Monoterpenoid
- P-menthane monoterpenoid
- Oxane
- Monosaccharide
- Secondary alcohol
- Polyol
- Oxacycle
- Acetal
- Organoheterocyclic compound
- Primary alcohol
- Organooxygen compound
- Alcohol
- Hydrocarbon derivative
- Organic oxygen compound
- 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: 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 | (4S,6R)-p-Mentha-1,8-diene-6,7-diol 7-glucoside, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-03di-9765000000-d74e919d641794ec4d3b | Spectrum | Predicted GC-MS | (4S,6R)-p-Mentha-1,8-diene-6,7-diol 7-glucoside, 5 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-004i-2020009000-1b148e4d1bc09c4be47a | Spectrum | Predicted GC-MS | (4S,6R)-p-Mentha-1,8-diene-6,7-diol 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 | splash10-0il0-0928000000-f8680b934a5b05cf5f3c | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udi-1901000000-acf3edbd6026c3ea6972 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0udi-7910000000-cf1ff1d2e19d60cb132e | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-1619000000-883bc215dba512183861 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03fr-3912000000-d84a805c1f4e127038d3 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0ap3-9700000000-affffd4f484feb4efc95 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0109000000-fbda46e00b8e433a3a4c | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-05ot-3913000000-dd657b689b579d9755b9 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0596-9801000000-9bd3bc000c17d63ff874 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-01q9-1629000000-b6dd423ccf533c849e70 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-3901000000-57cfa3f3c897e85a2544 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0kar-5900000000-65bb43130f61a215deea | 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 | HMDB39056 |
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CRC / DFC (Dictionary of Food Compounds) ID | LKN78-W:LLO87-K |
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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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