Record Information |
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Version | 1.0 |
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Created at | 2021-01-05 22:55:20 UTC |
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Updated at | 2021-07-15 17:14:57 UTC |
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NP-MRD ID | NP0013609 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Erinaceolactone B |
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Provided By | NPAtlas |
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Description | Erinaceolactone B is found in Hericium erinaceus. It was first documented in 2015 (PMID: 25534373). Based on a literature review very few articles have been published on 5-hydroxy-6-(1-hydroxyethyl)-1,3-dihydro-2-benzofuran-1-one. |
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Structure | [H]OC1=C([H])C2=C(C([H])=C1[C@@]([H])(O[H])C([H])([H])[H])C(=O)OC2([H])[H] InChI=1S/C10H10O4/c1-5(11)7-3-8-6(2-9(7)12)4-14-10(8)13/h2-3,5,11-12H,4H2,1H3/t5-/m0/s1 |
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Synonyms | Value | Source |
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5-Hydroxy-6-(1-hydroxyethyl)isobenzofuran-1(3H)-one | MeSH |
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Chemical Formula | C10H10O4 |
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Average Mass | 194.1860 Da |
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Monoisotopic Mass | 194.05791 Da |
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IUPAC Name | 5-hydroxy-6-[(1S)-1-hydroxyethyl]-1,3-dihydro-2-benzofuran-1-one |
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Traditional Name | 5-hydroxy-6-[(1S)-1-hydroxyethyl]-3H-2-benzofuran-1-one |
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CAS Registry Number | Not Available |
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SMILES | CC(O)C1=C(O)C=C2COC(=O)C2=C1 |
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InChI Identifier | InChI=1S/C10H10O4/c1-5(11)7-3-8-6(2-9(7)12)4-14-10(8)13/h2-3,5,11-12H,4H2,1H3 |
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InChI Key | MVRQPBMJXSNAHE-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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