| Record Information |
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| Version | 2.0 |
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| Created at | 2021-01-05 23:36:00 UTC |
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| Updated at | 2021-07-15 17:17:17 UTC |
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| NP-MRD ID | NP0014434 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | L-digitoxosyl-phenanthroviridin |
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| Provided By | NPAtlas |
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| Description | L-digitoxosyl-phenanthroviridin is found in Streptomyces venezuelae. L-digitoxosyl-phenanthroviridin was first documented in 2015 (PMID: 26203536). Based on a literature review very few articles have been published on 8-{[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-1-hydroxy-3-methyl-7,12-dihydro-6-azatetraphene-7,12-dione. |
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| Structure | [H]OC1=C2C(C([H])=NC3=C2C(=O)C2=C([H])C([H])=C([H])C(O[C@]4([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(O[H])C4([H])[H])=C2C3=O)=C([H])C(=C1[H])C([H])([H])[H] InChI=1S/C24H21NO7/c1-10-6-12-9-25-21-20(18(12)14(26)7-10)23(29)13-4-3-5-16(19(13)24(21)30)32-17-8-15(27)22(28)11(2)31-17/h3-7,9,11,15,17,22,26-28H,8H2,1-2H3/t11-,15+,17-,22-/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C24H21NO7 |
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| Average Mass | 435.4320 Da |
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| Monoisotopic Mass | 435.13180 Da |
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| IUPAC Name | 8-{[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-1-hydroxy-3-methyl-7,12-dihydro-6-azatetraphene-7,12-dione |
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| Traditional Name | 8-{[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-1-hydroxy-3-methyl-6-azatetraphene-7,12-dione |
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| CAS Registry Number | Not Available |
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| SMILES | C[C@@H]1O[C@H](C[C@@H](O)[C@H]1O)OC1=CC=CC2=C1C(=O)C1=C(C2=O)C2=C(O)C=C(C)C=C2C=N1 |
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| InChI Identifier | InChI=1S/C24H21NO7/c1-10-6-12-9-25-21-20(18(12)14(26)7-10)23(29)13-4-3-5-16(19(13)24(21)30)32-17-8-15(27)22(28)11(2)31-17/h3-7,9,11,15,17,22,26-28H,8H2,1-2H3/t11-,15+,17-,22-/m0/s1 |
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| InChI Key | RHJZSFGUTPCBSW-GAUMXTCASA-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, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, 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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