Record Information |
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Version | 2.0 |
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Created at | 2022-09-10 01:45:52 UTC |
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Updated at | 2022-09-10 01:45:52 UTC |
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NP-MRD ID | NP0293644 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 2-(4-hydroxyphenyl)-7-methoxy-5-[(1e)-prop-1-en-1-yl]-1-benzofuran-3-carbaldehyde |
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Description | 2-(4-hydroxyphenyl)-7-methoxy-5-[(1e)-prop-1-en-1-yl]-1-benzofuran-3-carbaldehyde is found in Krameria cytisoides. |
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Structure | COC1=C2OC(=C(C=O)C2=CC(\C=C\C)=C1)C1=CC=C(O)C=C1 InChI=1S/C19H16O4/c1-3-4-12-9-15-16(11-20)18(13-5-7-14(21)8-6-13)23-19(15)17(10-12)22-2/h3-11,21H,1-2H3/b4-3+ |
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Synonyms | Not Available |
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Chemical Formula | C19H16O4 |
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Average Mass | 308.3330 Da |
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Monoisotopic Mass | 308.10486 Da |
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IUPAC Name | 2-(4-hydroxyphenyl)-7-methoxy-5-[(1E)-prop-1-en-1-yl]-1-benzofuran-3-carbaldehyde |
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Traditional Name | 2-(4-hydroxyphenyl)-7-methoxy-5-[(1E)-prop-1-en-1-yl]-1-benzofuran-3-carbaldehyde |
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CAS Registry Number | Not Available |
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SMILES | COC1=C2OC(=C(C=O)C2=CC(\C=C\C)=C1)C1=CC=C(O)C=C1 |
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InChI Identifier | InChI=1S/C19H16O4/c1-3-4-12-9-15-16(11-20)18(13-5-7-14(21)8-6-13)23-19(15)17(10-12)22-2/h3-11,21H,1-2H3/b4-3+ |
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InChI Key | OEZDZBQNBLOWOW-ONEGZZNKSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 25 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | |
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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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