| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-11 02:29:34 UTC |
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| Updated at | 2022-09-11 02:29:34 UTC |
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| NP-MRD ID | NP0308602 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (2s,3r,4s,5s,6r)-2-({2-[(1s,2r,5s)-2,5-dihydroxycyclopentyl]furan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol |
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| Description | (2s,3r,4s,5s,6r)-2-({2-[(1s,2r,5s)-2,5-dihydroxycyclopentyl]furan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol is found in Eucommia ulmoides. |
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| Structure | OC[C@H]1O[C@@H](OC2=C(OC=C2)[C@@H]2[C@@H](O)CC[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C15H22O9/c16-5-9-11(19)12(20)13(21)15(24-9)23-8-3-4-22-14(8)10-6(17)1-2-7(10)18/h3-4,6-7,9-13,15-21H,1-2,5H2/t6-,7+,9-,10+,11-,12+,13-,15-/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C15H22O9 |
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| Average Mass | 346.3320 Da |
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| Monoisotopic Mass | 346.12638 Da |
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| IUPAC Name | (2S,3R,4S,5S,6R)-2-({2-[(1S,2R,5S)-2,5-dihydroxycyclopentyl]furan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol |
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| Traditional Name | (2S,3R,4S,5S,6R)-2-({2-[(1S,2R,5S)-2,5-dihydroxycyclopentyl]furan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol |
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| CAS Registry Number | Not Available |
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| SMILES | OC[C@H]1O[C@@H](OC2=C(OC=C2)[C@@H]2[C@@H](O)CC[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |
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| InChI Identifier | InChI=1S/C15H22O9/c16-5-9-11(19)12(20)13(21)15(24-9)23-8-3-4-22-14(8)10-6(17)1-2-7(10)18/h3-4,6-7,9-13,15-21H,1-2,5H2/t6-,7+,9-,10+,11-,12+,13-,15-/m1/s1 |
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| InChI Key | UTDFQMAXCUGNJR-AAHBHMKOSA-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, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, 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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