Record Information |
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Version | 1.0 |
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Created at | 2021-01-06 08:46:14 UTC |
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Updated at | 2021-07-15 17:42:30 UTC |
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NP-MRD ID | NP0023717 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Alnumycin |
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Provided By | NPAtlas![NPAtlas Logo](/attributions/npatlas_logo_square_small.png) |
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Description | Alnumycin is found in Streptomyces. It was first documented in 1998 (PMID: 9589078). Based on a literature review very few articles have been published on (1R)-10-hydroxy-8-[(2R,4S,5R)-5-hydroxy-4-(hydroxymethyl)-1,3-dioxan-2-yl]-3-methyl-1-propyl-1H,6H,9H-cyclohexa[g]isochromene-6,9-dione. |
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Structure | [H]OC1=C2C(C([H])=C(O[C@]2([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])[H])=C([H])C2=C1C(=O)C(=C([H])C2=O)[C@]1([H])OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O1)C([H])([H])O[H] InChI=1S/C22H24O8/c1-3-4-16-18-11(5-10(2)29-16)6-12-14(24)7-13(20(26)19(12)21(18)27)22-28-9-15(25)17(8-23)30-22/h5-7,15-17,22-23,25,27H,3-4,8-9H2,1-2H3/t15-,16-,17+,22-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C22H24O8 |
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Average Mass | 416.4260 Da |
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Monoisotopic Mass | 416.14712 Da |
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IUPAC Name | (1R)-10-hydroxy-8-[(2R,4S,5R)-5-hydroxy-4-(hydroxymethyl)-1,3-dioxan-2-yl]-3-methyl-1-propyl-1H,6H,9H-cyclohexa[g]isochromene-6,9-dione |
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Traditional Name | (1R)-10-hydroxy-8-[(2R,4S,5R)-5-hydroxy-4-(hydroxymethyl)-1,3-dioxan-2-yl]-3-methyl-1-propyl-1H-cyclohexa[g]isochromene-6,9-dione |
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CAS Registry Number | Not Available |
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SMILES | CCC[C@H]1OC(C)=CC2=C1C(O)=C1C(=O)C(=CC(=O)C1=C2)[C@@H]1OC[C@@H](O)[C@H](CO)O1 |
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InChI Identifier | InChI=1S/C22H24O8/c1-3-4-16-18-11(5-10(2)29-16)6-12-14(24)7-13(20(26)19(12)21(18)27)22-28-9-15(25)17(8-23)30-22/h5-7,15-17,22-23,25,27H,3-4,8-9H2,1-2H3/t15-,16-,17+,22-/m1/s1 |
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InChI Key | DRXHQLTVRTWTGH-DBHNTLKXSA-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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