| Record Information |
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| Version | 2.0 |
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| Created at | 2021-01-05 23:09:32 UTC |
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| Updated at | 2021-07-15 17:15:39 UTC |
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| NP-MRD ID | NP0013860 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Pseudogymnoascin C |
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| Provided By | NPAtlas |
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| Description | Pseudogymnoascin C is found in Pseudogymnoascus sp. Based on a literature review very few articles have been published on Pseudogymnoascin C. |
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| Structure | [H]OC(=O)[C@@]([H])(OC(=O)C1=C(O[H])C([H])=C(C([H])=C1OC1=C(C(=O)OC([H])([H])[H])C(=C(O[H])C([H])=C1OC([H])([H])[H])[N+]([O-])=O)C([H])([H])[H])C([H])([H])[H] InChI=1S/C20H19NO12/c1-8-5-10(22)14(20(27)32-9(2)18(24)25)12(6-8)33-17-13(30-3)7-11(23)16(21(28)29)15(17)19(26)31-4/h5-7,9,22-23H,1-4H3,(H,24,25)/t9-/m0/s1 |
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| Synonyms | | Value | Source |
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| 2-{2-hydroxy-6-[4-hydroxy-6-methoxy-2-(methoxycarbonyl)-3-nitrophenoxy]-4-methylbenzoyloxy}propanoate | Generator |
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| Chemical Formula | C20H19NO12 |
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| Average Mass | 465.3670 Da |
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| Monoisotopic Mass | 465.09073 Da |
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| IUPAC Name | {[3-(2-{[(1S)-1-carboxyethoxy]carbonyl}-3-hydroxy-5-methylphenoxy)-6-hydroxy-4-methoxy-2-(methoxycarbonyl)phenyl]nitro}-lambda1-oxidanyl |
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| Traditional Name | [3-(2-{[(1S)-1-carboxyethoxy]carbonyl}-3-hydroxy-5-methylphenoxy)-6-hydroxy-4-methoxy-2-(methoxycarbonyl)phenylnitro]-lambda1-oxidanyl |
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| CAS Registry Number | Not Available |
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| SMILES | COC(=O)C1=C(C(O)=CC(OC)=C1OC1=CC(C)=CC(O)=C1C(=O)OC(C)C(O)=O)[N+]([O-])=O |
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| InChI Identifier | InChI=1S/C20H19NO12/c1-8-5-10(22)14(20(27)32-9(2)18(24)25)12(6-8)33-17-13(30-3)7-11(23)16(21(28)29)15(17)19(26)31-4/h5-7,9,22-23H,1-4H3,(H,24,25) |
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| InChI Key | OCYICDINBUIUEQ-UHFFFAOYSA-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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