Record Information |
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Version | 2.0 |
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Created at | 2021-01-05 21:14:11 UTC |
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Updated at | 2021-07-15 17:09:25 UTC |
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NP-MRD ID | NP0011604 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Antrocinnamomin G |
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Provided By | NPAtlas |
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Description | Antrocinnamomin G is found in Antrodia and Taiwanofungus camphoratus. Based on a literature review very few articles have been published on Antrocinnamomin G. |
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Structure | [H]O[C@]([H])(C(=O)OC([H])([H])[H])C([H])([H])OC1=C([H])C([H])=C(C([H])=C1[H])C1=C(C(=O)N([H])C1=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H] InChI=1S/C18H21NO6/c1-10(2)8-13-15(17(22)19-16(13)21)11-4-6-12(7-5-11)25-9-14(20)18(23)24-3/h4-7,10,14,20H,8-9H2,1-3H3,(H,19,21,22)/t14-/m0/s1 |
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Synonyms | Value | Source |
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Methyl 2-hydroxy-3-{4-[5-hydroxy-4-(2-methylpropyl)-2-oxo-2H-pyrrol-3-yl]phenoxy}propanoic acid | Generator |
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Chemical Formula | C18H21NO6 |
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Average Mass | 347.3670 Da |
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Monoisotopic Mass | 347.13689 Da |
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IUPAC Name | methyl (2S)-2-hydroxy-3-{4-[4-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]phenoxy}propanoate |
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Traditional Name | methyl (2S)-2-hydroxy-3-{4-[4-(2-methylpropyl)-2,5-dioxo-1H-pyrrol-3-yl]phenoxy}propanoate |
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CAS Registry Number | Not Available |
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SMILES | COC(=O)C(O)COC1=CC=C(C=C1)C1=C(CC(C)C)C(=O)NC1=O |
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InChI Identifier | InChI=1S/C18H21NO6/c1-10(2)8-13-15(17(22)19-16(13)21)11-4-6-12(7-5-11)25-9-14(20)18(23)24-3/h4-7,10,14,20H,8-9H2,1-3H3,(H,19,21,22) |
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InChI Key | HXCVVFMNGAPNJL-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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