Record Information |
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Version | 1.0 |
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Created at | 2021-01-06 08:57:17 UTC |
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Updated at | 2021-07-15 17:43:05 UTC |
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NP-MRD ID | NP0023932 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Rancinamycin II |
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Provided By | NPAtlas |
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Description | Rancinamycin II is found in Streptomyces lincolnensis. It was first documented in 1976 (PMID: 993115). Based on a literature review very few articles have been published on Rancinamycin IIA. |
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Structure | [H]O[C@]1([H])C([H])=C(C([H])=O)[C@@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@]([H])(O[H])[C@@]1([H])O[H] InChI=1S/C12H18O6/c1-2-3-4-9(15)18-12-7(6-13)5-8(14)10(16)11(12)17/h5-6,8,10-12,14,16-17H,2-4H2,1H3/t8-,10+,11-,12-/m1/s1 |
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Synonyms | Value | Source |
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U-25873Ranimycin | ChEMBL | 2-Formyl-4,5,6-trihydroxycyclohex-2-en-1-yl pentanoic acid | Generator |
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Chemical Formula | C12H18O6 |
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Average Mass | 258.2700 Da |
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Monoisotopic Mass | 258.11034 Da |
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IUPAC Name | (1R,4R,5S,6R)-2-formyl-4,5,6-trihydroxycyclohex-2-en-1-yl pentanoate |
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Traditional Name | (1R,4R,5S,6R)-2-formyl-4,5,6-trihydroxycyclohex-2-en-1-yl pentanoate |
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CAS Registry Number | Not Available |
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SMILES | CCCCC(=O)OC1C(O)C(O)C(O)C=C1C=O |
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InChI Identifier | InChI=1S/C12H18O6/c1-2-3-4-9(15)18-12-7(6-13)5-8(14)10(16)11(12)17/h5-6,8,10-12,14,16-17H,2-4H2,1H3 |
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InChI Key | NSBYSHKEWUPBPX-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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