Record Information |
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Version | 1.0 |
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Created at | 2024-01-30 08:21:42 UTC |
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Updated at | 2024-04-19 10:08:29 UTC |
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NP-MRD ID | NP0332457 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Favolasinone A |
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Description | Not Available |
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Structure | COC1=CC(=CC2=C1COC2=O)C1=CC=CC=C1 InChI=1S/C15H12O3/c1-17-14-8-11(10-5-3-2-4-6-10)7-12-13(14)9-18-15(12)16/h2-8H,9H2,1H3 |
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Synonyms | Not Available |
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Chemical Formula | C15H12O3 |
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Average Mass | 240.2580 Da |
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Monoisotopic Mass | 240.07864 Da |
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IUPAC Name | 4-methoxy-6-phenyl-1,3-dihydro-2-benzofuran-1-one |
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Traditional Name | 4-methoxy-6-phenyl-3H-2-benzofuran-1-one |
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CAS Registry Number | Not Available |
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SMILES | COC1=CC(=CC2=C1COC2=O)C1=CC=CC=C1 |
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InChI Identifier | InChI=1S/C15H12O3/c1-17-14-8-11(10-5-3-2-4-6-10)7-12-13(14)9-18-15(12)16/h2-8H,9H2,1H3 |
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InChI Key | VSENUINLJCXVBP-UHFFFAOYSA-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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HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | jittra.kor@biotec.or.th | Not Available | Jittra Kornsakulkarn | 2024-01-30 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | jittra.kor@biotec.or.th | Not Available | Jittra Kornsakulkarn | 2024-01-30 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 126 MHz, C2D6OS, experimental) | jittra.kor@biotec.or.th | Not Available | Jittra Kornsakulkarn | 2024-01-30 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | jittra.kor@biotec.or.th | Not Available | Jittra Kornsakulkarn | 2024-01-30 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 126 MHz, CD3OD, experimental) | jittra.kor@biotec.or.th | Not Available | Jittra Kornsakulkarn | 2024-01-30 | View Spectrum | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | jittra.kor@biotec.or.th | Not Available | Jittra Kornsakulkarn | 2024-01-30 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | jittra.kor@biotec.or.th | Not Available | Jittra Kornsakulkarn | 2024-01-30 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500.034200252 MHz, C2D6OS, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 125.746474097 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 125.746474097 MHz, C2D6OS, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | 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 | Not Available |
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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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