Record Information |
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Version | 2.0 |
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Created at | 2022-12-22 00:41:29 UTC |
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Updated at | 2024-09-03 04:15:04 UTC |
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NP-MRD ID | NP0331249 |
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Natural Product DOI | https://doi.org/10.57994/0142 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (2S,1″R,2″R)-4'-Hydroxy-7-methoxy-6-(1,2,3-trihydroxy-3-methyl-butyl)-flavanone |
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Description | (2S,1″R,2″R)-4'-Hydroxy-7-methoxy-6-(1,2,3-trihydroxy-3-methyl-butyl)-flavanone was first documented in 2023 (PMID: 35876050). |
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Structure | COC1=C(C=C2C(=O)C[C@H](OC2=C1)C1=CC=C(O)C=C1)[C@@H](O)[C@@H](O)C(C)(C)O InChI=1S/C21H24O7/c1-21(2,26)20(25)19(24)14-8-13-15(23)9-16(11-4-6-12(22)7-5-11)28-18(13)10-17(14)27-3/h4-8,10,16,19-20,22,24-26H,9H2,1-3H3/t16-,19+,20+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C21H24O7 |
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Average Mass | 388.4160 Da |
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Monoisotopic Mass | 388.15220 Da |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | Not Available |
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SMILES | COC1=C(C=C2C(=O)C[C@H](OC2=C1)C1=CC=C(O)C=C1)[C@@H](O)[C@@H](O)C(C)(C)O |
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InChI Identifier | InChI=1S/C21H24O7/c1-21(2,26)20(25)19(24)14-8-13-15(23)9-16(11-4-6-12(22)7-5-11)28-18(13)10-17(14)27-3/h4-8,10,16,19-20,22,24-26H,9H2,1-3H3/t16-,19+,20+/m0/s1 |
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InChI Key | XSELWSTVSUPLJH-PWIZWCRZSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 1H NMR Spectrum (1D, 500 MHz, C5D5N, experimental) | gongkaikai1005@163.com | Not Available | Not Available | 2024-05-12 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | gongkaikai1005@163.com | Not Available | Not Available | 2024-05-12 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, C5D5N, experimental) | gongkaikai1005@163.com | Not Available | Not Available | 2024-05-12 | View Spectrum | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | gongkaikai1005@163.com | Not Available | Not Available | 2024-05-12 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, C5D5N, experimental) | gongkaikai1005@163.com | Not Available | Not Available | 2022-12-22 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | gongkaikai1005@163.com | Not Available | Not Available | 2022-12-22 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, C5D5N, experimental) | gongkaikai1005@163.com | Not Available | Not Available | 2022-12-22 | View Spectrum | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | gongkaikai1005@163.com | Not Available | Not Available | 2022-12-22 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Species Name | Source | Reference |
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corylifolium | | |
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Chemical Taxonomy |
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Classification | Not classified |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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