Record Information |
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Version | 1.0 |
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Created at | 2022-12-23 00:23:28 UTC |
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Updated at | 2024-04-19 09:38:18 UTC |
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NP-MRD ID | NP0331348 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 6,8-Dihydroxy-3,4,5,7-tetra-methyl-3,4-dihydroisocoumarin |
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Description | Not Available |
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Structure | C[C@@H]1OC(=O)C2=C(O)C(C)=C(O)C(C)=C2[C@H]1C InChI=1S/C13H16O4/c1-5-8(4)17-13(16)10-9(5)6(2)11(14)7(3)12(10)15/h5,8,14-15H,1-4H3/t5-,8-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C13H16O4 |
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Average Mass | 236.2670 Da |
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Monoisotopic Mass | 236.10486 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 | C[C@@H]1OC(=O)C2=C(O)C(C)=C(O)C(C)=C2[C@H]1C |
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InChI Identifier | InChI=1S/C13H16O4/c1-5-8(4)17-13(16)10-9(5)6(2)11(14)7(3)12(10)15/h5,8,14-15H,1-4H3/t5-,8-/m0/s1 |
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InChI Key | GMLFHEQJHMFUQF-XNCJUZBTSA-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 | [13C, ] NMR Spectrum (2D, 101 MHz, CDCl3, experimental) | wenhuiling1984_whl@163.com | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 101 MHz, CDCl3, experimental) | wenhuiling1984_whl@163.com | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | wenhuiling1984_whl@163.com | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400.18 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100.64 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100.63 MHz, CDCl3, 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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