Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:14:56 UTC |
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Update date | 2019-11-26 03:18:45 UTC |
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Primary ID | FDB020311 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Kaempferol 3-rhamnofuranoside |
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Description | Kaempferol 3-O-alpha-L-rhamnofuranoside belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Kaempferol 3-O-alpha-L-rhamnofuranoside has been detected, but not quantified in, several different foods, such as alcoholic beverages, beverages, herbs and spices, and sweet bays (Laurus nobilis). This could make kaempferol 3-O-alpha-L-rhamnofuranoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Kaempferol 3-O-alpha-L-rhamnofuranoside. |
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CAS Number | 5041-73-6 |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C21H20O10 |
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IUPAC name | 3-{[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one |
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InChI Identifier | InChI=1S/C21H20O10/c1-8(22)18-16(27)17(28)21(30-18)31-20-15(26)14-12(25)6-11(24)7-13(14)29-19(20)9-2-4-10(23)5-3-9/h2-8,16-18,21-25,27-28H,1H3 |
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InChI Key | FFFIPDPCGREKEW-UHFFFAOYSA-N |
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Isomeric SMILES | CC(O)C1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C1O |
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Average Molecular Weight | 432.3775 |
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Monoisotopic Molecular Weight | 432.10564686 |
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Classification |
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Description | Belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Flavonoids |
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Sub Class | Flavonoid glycosides |
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Direct Parent | Flavonoid-3-O-glycosides |
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Alternative Parents | |
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Substituents | - Flavonoid-3-o-glycoside
- 4'-hydroxyflavonoid
- 5-hydroxyflavonoid
- 7-hydroxyflavonoid
- Flavone
- Hydroxyflavonoid
- Chromone
- Glycosyl compound
- O-glycosyl compound
- Benzopyran
- 1-benzopyran
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Pyranone
- Benzenoid
- Monosaccharide
- Pyran
- Monocyclic benzene moiety
- Tetrahydrofuran
- Vinylogous acid
- Heteroaromatic compound
- Secondary alcohol
- Acetal
- Organoheterocyclic compound
- Oxacycle
- Organic oxygen compound
- Alcohol
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic 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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Role | 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 | Kaempferol 3-rhamnofuranoside, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0ab9-9001100000-9bf49dcb1c17a1e56971 | Spectrum | Predicted GC-MS | Kaempferol 3-rhamnofuranoside, 3 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-001i-5900116000-d799399f4856bc2e9120 | Spectrum | Predicted GC-MS | Kaempferol 3-rhamnofuranoside, 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 | splash10-00li-1190800000-6cccd34ed8e4d7effbde | 2015-04-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000i-0190000000-07c4970066dfc9e711be | 2015-04-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-05n3-6590000000-947423e0a688e31473d1 | 2015-04-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001r-0051900000-4672a1e65e456b6bd9eb | 2015-04-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-0190200000-9c8293d48334ed4a2ee1 | 2015-04-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-000i-1590000000-750f0eb8ed62e2fa6e85 | 2015-04-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-0000900000-14577e71d57aee3c040a | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0f89-0300900000-595fe4f85be7fec14af8 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0uec-2910200000-e575142d2a72f3f47522 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-0000900000-509ee28ef47ce2bd195a | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-0000900000-79f1f1320d1261241201 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0udi-1901400000-21936e8358041c3da954 | 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 | HMDB40542 |
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CRC / DFC (Dictionary of Food Compounds) ID | BFG98-E:MNV55-H |
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EAFUS ID | Not Available |
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Dr. Duke ID | KAEMPFEROL-3-O-ALPHA-L-RHAMNOSIDE |
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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 | — 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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