Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:09:28 UTC |
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Update date | 2019-11-26 03:04:33 UTC |
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Primary ID | FDB011093 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | 5,7-Dihydroxy-6-methoxyflavone 5-rhamnoside |
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Description | 5,7-Dihydroxy-6-methoxyflavone 5-rhamnoside belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. 5,7-Dihydroxy-6-methoxyflavone 5-rhamnoside has been detected, but not quantified in, fruits. This could make 5,7-dihydroxy-6-methoxyflavone 5-rhamnoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 5,7-Dihydroxy-6-methoxyflavone 5-rhamnoside. |
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CAS Number | 163350-29-6 |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C22H22O9 |
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IUPAC name | 7-hydroxy-6-methoxy-2-phenyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-one |
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InChI Identifier | InChI=1S/C22H22O9/c1-10-17(25)18(26)19(27)22(29-10)31-21-16-12(23)8-14(11-6-4-3-5-7-11)30-15(16)9-13(24)20(21)28-2/h3-10,17-19,22,24-27H,1-2H3 |
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InChI Key | NNXFUYOQDUBSHH-UHFFFAOYSA-N |
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Isomeric SMILES | COC1=C(OC2OC(C)C(O)C(O)C2O)C2=C(OC(=CC2=O)C2=CC=CC=C2)C=C1O |
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Average Molecular Weight | 430.4047 |
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Monoisotopic Molecular Weight | 430.126382302 |
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Classification |
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Description | Belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. |
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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 O-glycosides |
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Alternative Parents | |
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Substituents | - Flavonoid-5-o-glycoside
- Flavonoid o-glycoside
- 6-methoxyflavonoid-skeleton
- 7-hydroxyflavonoid
- Flavone
- Hydroxyflavonoid
- Phenolic glycoside
- Hexose monosaccharide
- Chromone
- Glycosyl compound
- O-glycosyl compound
- Benzopyran
- 1-benzopyran
- Anisole
- Pyranone
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Pyran
- Oxane
- Monocyclic benzene moiety
- Monosaccharide
- Benzenoid
- Vinylogous ester
- Heteroaromatic compound
- Secondary alcohol
- Ether
- Oxacycle
- Organoheterocyclic compound
- Acetal
- Polyol
- Organooxygen compound
- Organic oxide
- Alcohol
- Hydrocarbon derivative
- Organic oxygen 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 | 5,7-Dihydroxy-6-methoxyflavone 5-rhamnoside, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0bt9-9103300000-3cbbfc0396d52c0f9feb | Spectrum | Predicted GC-MS | 5,7-Dihydroxy-6-methoxyflavone 5-rhamnoside, 3 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-001i-4552019000-37f4fe401263d43c6864 | Spectrum | Predicted GC-MS | 5,7-Dihydroxy-6-methoxyflavone 5-rhamnoside, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | 5,7-Dihydroxy-6-methoxyflavone 5-rhamnoside, 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 | splash10-0019-0090700000-eda85073118de244b48f | 2016-08-02 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000i-0090000000-6b65d6421f2181e786f5 | 2016-08-02 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00kr-2390000000-493f36ffa11cc78e9255 | 2016-08-02 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0059-1052900000-fd8e16d7563c2af1ec7d | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00lr-1091100000-29ebbcd019eca5c799a8 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-02u0-1190000000-bff4f02c49a7cb8448cd | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0000900000-472afde216effb41d5dd | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-0000900000-99c8ca0f815ae9ee09c4 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-002f-0925200000-d3d1ef72acbb5ebe9efc | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-0000900000-ef3d3b83667d3d38ca3f | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-0000900000-ef3d3b83667d3d38ca3f | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-003r-0119600000-990219a1dc266244fe4c | 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 | HMDB33098 |
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CRC / DFC (Dictionary of Food Compounds) ID | CMF69-Z:FYQ73-M |
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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 | C00004483 |
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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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