Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:04:33 UTC |
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Update date | 2019-11-26 02:54:45 UTC |
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Primary ID | FDB000410 |
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Secondary Accession Numbers | |
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Chemical Information |
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FooDB Name | Geranyl rhamnosyl-glucoside |
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Description | Neryl rhamnosyl-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 Neryl rhamnosyl-glucoside. |
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CAS Number | 84534-31-6 |
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Structure | |
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Synonyms | Synonym | Source |
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(2E)-3,7-Dimethyl-2,6-octadien-1-ol O-[a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside] | manual | (2E)-3,7-Dimethyl-2,6-octadien-1-ol O-[a-L-rhamnosyl-(1->6)-b-D-glucoside] | manual | Geraniol rhamnosyl-glucoside | manual | Geranyl rhamnosyl-glucoside | manual |
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Predicted Properties | |
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Chemical Formula | C22H38O10 |
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IUPAC name | 2-[(6-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-6-methyloxane-3,4,5-triol |
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InChI Identifier | InChI=1S/C22H38O10/c1-11(2)6-5-7-12(3)8-9-29-21-20(28)18(26)16(24)14(32-21)10-30-22-19(27)17(25)15(23)13(4)31-22/h6,8,13-28H,5,7,9-10H2,1-4H3/b12-8- |
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InChI Key | YZJBMONDZNACEV-WQLSENKSSA-N |
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Isomeric SMILES | CC1OC(OCC2OC(OC\C=C(\C)CCC=C(C)C)C(O)C(O)C2O)C(O)C(O)C1O |
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Average Molecular Weight | 462.5311 |
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Monoisotopic Molecular Weight | 462.246497436 |
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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
- Fatty acyl glycoside
- Fatty acyl glycoside of mono- or disaccharide
- Alkyl glycoside
- Disaccharide
- Glycosyl compound
- O-glycosyl compound
- Monocyclic monoterpenoid
- Monoterpenoid
- Fatty acyl
- Oxane
- Secondary alcohol
- Oxacycle
- Acetal
- Organoheterocyclic compound
- Polyol
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxygen compound
- 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: 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 - Experimental |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Not Available | |
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Physical Description | Not Available | |
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Mass Composition | C 57.13%; H 8.28%; O 34.59% | DFC |
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Melting Point | Not Available | |
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Boiling Point | Not Available | |
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Experimental Water Solubility | Not Available | |
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Experimental logP | Not Available | |
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Experimental pKa | Not Available | |
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Isoelectric point | Not Available | |
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Charge | Not Available | |
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Optical Rotation | Not Available | |
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Spectroscopic UV Data | Not Available | |
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Density | Not Available | |
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Refractive Index | Not Available | |
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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 | Geranyl rhamnosyl-glucoside, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-052n-7683900000-7dbd381b5d3c5ed01112 | Spectrum | Predicted GC-MS | Geranyl rhamnosyl-glucoside, 3 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-03xr-6620139000-dabc7e1043788020376d | Spectrum | Predicted GC-MS | Geranyl rhamnosyl-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 | splash10-01ot-0511900000-4f753a6c192f62dd447c | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4s-2911000000-1bff2b1c4b5c53e55824 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-05mt-7910200000-9586fa43cac627444259 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-4924800000-637d7278471761ac21f2 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-06r5-3913100000-cd62c7e58c5fcd7b33c0 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0pi3-9720000000-3671138f9bdaa88c032c | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-0104900000-cccc0be0bf3d7c4a945c | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0zfu-9437600000-7c92ee4c00dc988129eb | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-052f-9211000000-18a3c279a4722f68c206 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03yj-4915600000-eed4c3cf91d09b7d86ca | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001j-9300000000-8690d78301baba604296 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9200000000-8c14b334c35c3bb01688 | 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 | Not Available |
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CRC / DFC (Dictionary of Food Compounds) ID | JVC33-F:BBY13-L |
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EAFUS ID | Not Available |
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Dr. Duke ID | GERANIOL-6-O-ALPHA-L-RHAMNOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE |
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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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Food | Content Range | Average | Reference |
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Food | | | Reference |
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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 | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
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