Record Information |
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Version | 1.0 |
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Created at | 2024-02-22 12:39:12 UTC |
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Updated at | 2024-04-19 10:11:14 UTC |
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NP-MRD ID | NP0332559 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 7, 7'-di-O-demethyl-3, 8'-bisiderin |
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Description | Not Available |
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Structure | COC1=CC(=O)OC2=C1C(C)=CC(O)=C2C1=C(OC)C2=C(OC1=O)C=C(O)C=C2C InChI=1S/C22H18O8/c1-9-5-11(23)7-14-17(9)20(28-4)19(22(26)29-14)18-12(24)6-10(2)16-13(27-3)8-15(25)30-21(16)18/h5-8,23-24H,1-4H3 |
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Synonyms | Not Available |
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Chemical Formula | C22H18O8 |
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Average Mass | 410.3780 Da |
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Monoisotopic Mass | 410.10017 Da |
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IUPAC Name | 7,7'-dihydroxy-4,4'-dimethoxy-5,5'-dimethyl-2H,2'H-[3,8'-bichromene]-2,2'-dione |
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Traditional Name | 7,7'-dihydroxy-4,4'-dimethoxy-5,5'-dimethyl-[3,8'-bichromene]-2,2'-dione |
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CAS Registry Number | Not Available |
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SMILES | COC1=CC(=O)OC2=C1C(C)=CC(O)=C2C1=C(OC)C2=C(OC1=O)C=C(O)C=C2C |
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InChI Identifier | InChI=1S/C22H18O8/c1-9-5-11(23)7-14-17(9)20(28-4)19(22(26)29-14)18-12(24)6-10(2)16-13(27-3)8-15(25)30-21(16)18/h5-8,23-24H,1-4H3 |
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InChI Key | CKTXXSDQIWOJIN-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, 600 MHz, C2D6OS, experimental) | yijing0212@163.com | 南方医科大学 | Jing Yi | 2024-02-22 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | yijing0212@163.com | 南方医科大学 | Jing Yi | 2024-02-22 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | yijing0212@163.com | 南方医科大学 | Jing Yi | 2024-02-22 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, C2D6OS, experimental) | yijing0212@163.com | 南方医科大学 | Jing Yi | 2024-02-22 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | yijing0212@163.com | 南方医科大学 | Jing Yi | 2024-02-22 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600.133705802 MHz, C2D6OS, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 150.918653341 MHz, C2D6OS, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600.133705802 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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