Record Information |
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Version | 2.0 |
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Created at | 2024-05-12 22:32:46 UTC |
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Updated at | 2024-09-03 04:21:39 UTC |
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NP-MRD ID | NP0333227 |
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Natural Product DOI | https://doi.org/10.57994/2563 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 7-Methoxycarviolin |
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Description | 7-Methoxycarviolin was first documented in 2021 (PMID: 33534571). Based on a literature review very few articles have been published on 1,3-dihydroxy-6-(hydroxymethyl)-2,8-dimethoxyanthracene-9,10-dione. |
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Structure | COC1=C2C(=O)C3=C(C=C(O)C(OC)=C3O)C(=O)C2=CC(CO)=C1 InChI=1S/C17H14O7/c1-23-11-4-7(6-18)3-8-12(11)15(21)13-9(14(8)20)5-10(19)17(24-2)16(13)22/h3-5,18-19,22H,6H2,1-2H3 |
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Synonyms | Not Available |
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Chemical Formula | C17H14O7 |
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Average Mass | 330.2920 Da |
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Monoisotopic Mass | 330.07395 Da |
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IUPAC Name | 1,3-dihydroxy-6-(hydroxymethyl)-2,8-dimethoxy-9,10-dihydroanthracene-9,10-dione |
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Traditional Name | 1,3-dihydroxy-6-(hydroxymethyl)-2,8-dimethoxyanthracene-9,10-dione |
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CAS Registry Number | Not Available |
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SMILES | COC1=C2C(=O)C3=C(C=C(O)C(OC)=C3O)C(=O)C2=CC(CO)=C1 |
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InChI Identifier | InChI=1S/C17H14O7/c1-23-11-4-7(6-18)3-8-12(11)15(21)13-9(14(8)20)5-10(19)17(24-2)16(13)22/h3-5,18-19,22H,6H2,1-2H3 |
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InChI Key | JFCGRBOHIRDAFR-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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COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | z.khalil@uq.edu.au | Not Available | Not Available | 2024-05-12 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental) | z.khalil@uq.edu.au | Not Available | Not Available | 2024-05-12 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | z.khalil@uq.edu.au | Not Available | Not Available | 2024-05-12 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | z.khalil@uq.edu.au | Not Available | Not Available | 2024-05-12 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental) | z.khalil@uq.edu.au | Not Available | Not Available | 2024-05-12 | 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 | Species Name | Source | Reference |
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sp. CMB-MD22 | | |
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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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