Record Information |
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Version | 2.0 |
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Created at | 2024-01-30 08:04:39 UTC |
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Updated at | 2024-09-03 04:19:16 UTC |
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NP-MRD ID | NP0332450 |
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Natural Product DOI | https://doi.org/10.57994/1693 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Favolasinone B |
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Description | Not Available |
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Structure | COC1=CC(=CC2=C1COC2=O)C1=CC(OC)=C(Cl)C=C1 InChI=1S/C16H13ClO4/c1-19-14-7-10(5-11-12(14)8-21-16(11)18)9-3-4-13(17)15(6-9)20-2/h3-7H,8H2,1-2H3 |
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Synonyms | Not Available |
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Chemical Formula | C16H13ClO4 |
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Average Mass | 304.7300 Da |
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Monoisotopic Mass | 304.05024 Da |
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IUPAC Name | 6-(4-chloro-3-methoxyphenyl)-4-methoxy-1,3-dihydro-2-benzofuran-1-one |
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Traditional Name | 6-(4-chloro-3-methoxyphenyl)-4-methoxy-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(OC)=C(Cl)C=C1 |
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InChI Identifier | InChI=1S/C16H13ClO4/c1-19-14-7-10(5-11-12(14)8-21-16(11)18)9-3-4-13(17)15(6-9)20-2/h3-7H,8H2,1-2H3 |
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InChI Key | IFVQHANWHVTPBW-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 | 1D NMR | 1H NMR Spectrum (1D, 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 (1D, 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 (1D, 126 MHz, C2D6OS, 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 (1D, 500 MHz, C2D6OS, experimental) | jittra.kor@biotec.or.th | Not Available | Jittra Kornsakulkarn | 2024-01-30 | View Spectrum |
| Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| 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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