| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-08 17:36:36 UTC |
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| Updated at | 2022-09-08 17:36:37 UTC |
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| NP-MRD ID | NP0271349 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (1r,3r,6r,7s,12r,13s,14s)-12-(hydroxymethyl)-2,4,9,11-tetraoxatricyclo[8.4.0.0³,⁷]tetradecane-6,7,13,14-tetrol |
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| Description | Amabiose belongs to the class of organic compounds known as disaccharides. Disaccharides are compounds containing two carbohydrate moieties linked to each to each other through a glycosidic bond, no set of three or more glycosidically linked carbohydrate units. (1r,3r,6r,7s,12r,13s,14s)-12-(hydroxymethyl)-2,4,9,11-tetraoxatricyclo[8.4.0.0³,⁷]tetradecane-6,7,13,14-tetrol is found in Hemsleya amabilis. Based on a literature review very few articles have been published on Amabiose. |
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| Structure | OC[C@H]1OC2OC[C@]3(O)[C@H](O)CO[C@@H]3O[C@@H]2[C@@H](O)[C@@H]1O InChI=1S/C11H18O9/c12-1-4-6(14)7(15)8-9(19-4)18-3-11(16)5(13)2-17-10(11)20-8/h4-10,12-16H,1-3H2/t4-,5-,6-,7+,8-,9?,10-,11+/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C11H18O9 |
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| Average Mass | 294.2560 Da |
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| Monoisotopic Mass | 294.09508 Da |
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| IUPAC Name | (1R,3R,6R,7S,12R,13S,14S)-12-(hydroxymethyl)-2,4,9,11-tetraoxatricyclo[8.4.0.0^{3,7}]tetradecane-6,7,13,14-tetrol |
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| Traditional Name | (1R,3R,6R,7S,12R,13S,14S)-12-(hydroxymethyl)-2,4,9,11-tetraoxatricyclo[8.4.0.0^{3,7}]tetradecane-6,7,13,14-tetrol |
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| CAS Registry Number | Not Available |
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| SMILES | OC[C@H]1OC2OC[C@]3(O)[C@H](O)CO[C@@H]3O[C@@H]2[C@@H](O)[C@@H]1O |
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| InChI Identifier | InChI=1S/C11H18O9/c12-1-4-6(14)7(15)8-9(19-4)18-3-11(16)5(13)2-17-10(11)20-8/h4-10,12-16H,1-3H2/t4-,5-,6-,7+,8-,9?,10-,11+/m1/s1 |
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| InChI Key | KPCWJVBMVFRAMY-MVXIBVMZSA-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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| Description | Belongs to the class of organic compounds known as disaccharides. Disaccharides are compounds containing two carbohydrate moieties linked to each to each other through a glycosidic bond, no set of three or more glycosidically linked carbohydrate units. |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organooxygen compounds |
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| Sub Class | Carbohydrates and carbohydrate conjugates |
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| Direct Parent | Disaccharides |
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| Alternative Parents | |
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| Substituents | - Disaccharide
- Dioxepane
- 1,4-dioxepane
- Oxane
- Tertiary alcohol
- Oxolane
- Secondary alcohol
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Acetal
- Hydrocarbon derivative
- Primary alcohol
- Alcohol
- Aliphatic heteropolycyclic compound
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| Molecular Framework | Aliphatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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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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