Record Information |
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Version | 2.0 |
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Created at | 2021-01-05 22:57:12 UTC |
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Updated at | 2021-07-15 17:15:03 UTC |
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NP-MRD ID | NP0013644 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Erinacerin D |
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Provided By | NPAtlas |
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Description | Erinacerin D is found in Hericium erinaceus. It was first documented in 2012 (PMID: 34383397). Based on a literature review very few articles have been published on Erinacerin D (PMID: 25565282) (PMID: 34383398) (PMID: 34383396) (PMID: 34384147) (PMID: 34384146) (PMID: 34384145). |
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Structure | [H]OC(=O)C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C1=C(O[H])C([H])=C2C(=O)N(C([H])([H])C([H])([H])O[H])C([H])([H])C2=C1O[H])\C([H])([H])[H])\C([H])([H])[H] InChI=1S/C20H25NO6/c1-12(4-3-5-13(2)20(26)27)6-7-14-17(23)10-15-16(18(14)24)11-21(8-9-22)19(15)25/h5-6,10,22-24H,3-4,7-9,11H2,1-2H3,(H,26,27)/b12-6+,13-5+ |
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Synonyms | Not Available |
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Chemical Formula | C20H25NO6 |
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Average Mass | 375.4210 Da |
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Monoisotopic Mass | 375.16819 Da |
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IUPAC Name | (2E,6E)-8-[4,6-dihydroxy-2-(2-hydroxyethyl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl]-2,6-dimethylocta-2,6-dienoic acid |
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Traditional Name | (2E,6E)-8-[4,6-dihydroxy-2-(2-hydroxyethyl)-1-oxo-3H-isoindol-5-yl]-2,6-dimethylocta-2,6-dienoic acid |
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CAS Registry Number | Not Available |
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SMILES | C\C(CC\C=C(/C)C(O)=O)=C/CC1=C(O)C=C2C(=O)N(CCO)CC2=C1O |
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InChI Identifier | InChI=1S/C20H25NO6/c1-12(4-3-5-13(2)20(26)27)6-7-14-17(23)10-15-16(18(14)24)11-21(8-9-22)19(15)25/h5-6,10,22-24H,3-4,7-9,11H2,1-2H3,(H,26,27)/b12-6+,13-5+ |
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InChI Key | WFUALHCWGPSZPU-YKNDAMCPSA-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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