Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 00:44:44 UTC |
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Updated at | 2021-07-15 16:46:38 UTC |
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NP-MRD ID | NP0003522 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | N-acetylaureothamine |
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Provided By | NPAtlas |
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Description | N-acetylaureothamine is found in Streptomyces, Streptomyces netropsis and Streptomyces netropsis JCM 4544. It was first documented in 2000 (PMID: 11079808). Based on a literature review very few articles have been published on N-{4-[(1E)-2-{[(3Z)-5-(6-methoxy-3,5-dimethyl-4-oxo-4H-pyran-2-yl)oxolan-3-ylidene]methyl}prop-1-en-1-yl]phenyl}ethanimidic acid. |
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Structure | [H]N(C(=O)C([H])([H])[H])C1=C([H])C([H])=C(\C([H])=C(\C(\[H])=C2/C([H])([H])O[C@@]([H])(C3=C(C(=O)C(=C(OC([H])([H])[H])O3)C([H])([H])[H])C([H])([H])[H])C2([H])[H])/C([H])([H])[H])C([H])=C1[H] InChI=1S/C24H27NO5/c1-14(10-18-6-8-20(9-7-18)25-17(4)26)11-19-12-21(29-13-19)23-15(2)22(27)16(3)24(28-5)30-23/h6-11,21H,12-13H2,1-5H3,(H,25,26)/b14-10+,19-11-/t21-/m1/s1 |
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Synonyms | Value | Source |
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N-{4-[(1E)-2-{[(3Z)-5-(6-methoxy-3,5-dimethyl-4-oxo-4H-pyran-2-yl)oxolan-3-ylidene]methyl}prop-1-en-1-yl]phenyl}ethanimidate | Generator |
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Chemical Formula | C24H27NO5 |
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Average Mass | 409.4820 Da |
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Monoisotopic Mass | 409.18892 Da |
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IUPAC Name | N-{4-[(1E)-3-[(3Z,5R)-5-(6-methoxy-3,5-dimethyl-4-oxo-4H-pyran-2-yl)oxolan-3-ylidene]-2-methylprop-1-en-1-yl]phenyl}acetamide |
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Traditional Name | N-{4-[(1E)-3-[(3Z,5R)-5-(6-methoxy-3,5-dimethyl-4-oxopyran-2-yl)oxolan-3-ylidene]-2-methylprop-1-en-1-yl]phenyl}acetamide |
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CAS Registry Number | Not Available |
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SMILES | COC1=C(C)C(=O)C(C)=C(O1)C1C\C(CO1)=C\C(\C)=C\C1=CC=C(NC(C)=O)C=C1 |
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InChI Identifier | InChI=1S/C24H27NO5/c1-14(10-18-6-8-20(9-7-18)25-17(4)26)11-19-12-21(29-13-19)23-15(2)22(27)16(3)24(28-5)30-23/h6-11,21H,12-13H2,1-5H3,(H,25,26)/b14-10+,19-11- |
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InChI Key | ZTZOKXOFRGHKSG-YPJQUURKSA-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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