Record Information |
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Version | 2.0 |
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Created at | 2023-02-08 08:01:57 UTC |
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Updated at | 2024-09-03 04:15:57 UTC |
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NP-MRD ID | NP0331506 |
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Natural Product DOI | https://doi.org/10.57994/0466 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Arteannumonoside E |
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Description | Arteannumonoside E belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Arteannumonoside E was first documented in 2023 (PMID: 36740572). Based on a literature review very few articles have been published on Arteannumonoside E. |
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Structure | [H][C@@](CO[C@@H]1O[C@H](COC2OCC(O)(CO)C2O)[C@@H](O)[C@H](O)[C@H]1O)(\C=C\C(C)=C)C(C)(C)O InChI=1S/C21H36O11/c1-11(2)5-6-12(20(3,4)27)7-29-18-16(25)15(24)14(23)13(32-18)8-30-19-17(26)21(28,9-22)10-31-19/h5-6,12-19,22-28H,1,7-10H2,2-4H3/b6-5+/t12-,13+,14+,15-,16+,17?,18+,19?,21?/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C21H36O11 |
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Average Mass | 464.5080 Da |
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Monoisotopic Mass | 464.22576 Da |
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IUPAC Name | (2R,3S,4S,5R,6R)-2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[(2S)-3-hydroxy-3-methyl-2-[(1E)-3-methylbuta-1,3-dien-1-yl]butoxy]oxane-3,4,5-triol |
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Traditional Name | (2R,3S,4S,5R,6R)-2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[(2S)-3-hydroxy-3-methyl-2-[(1E)-3-methylbuta-1,3-dien-1-yl]butoxy]oxane-3,4,5-triol |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@](CO[C@@H]1O[C@H](COC2OCC(O)(CO)C2O)[C@@H](O)[C@H](O)[C@H]1O)(\C=C\C(C)=C)C(C)(C)O |
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InChI Identifier | InChI=1S/C21H36O11/c1-11(2)5-6-12(20(3,4)27)7-29-18-16(25)15(24)14(23)13(32-18)8-30-19-17(26)21(28,9-22)10-31-19/h5-6,12-19,22-28H,1,7-10H2,2-4H3/b6-5+/t12-,13+,14+,15-,16+,17?,18+,19?,21?/m0/s1 |
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InChI Key | PHYXAZDYTODQOA-IHPJTZAYSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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NOESY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, D2O, experimental) | qiguo_wu@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, D2O, experimental) | qiguo_wu@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, D2O, experimental) | qiguo_wu@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, D2O, experimental) | qiguo_wu@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D_DEPT NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, experimental) | qiguo_wu@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, experimental) | qiguo_wu@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, experimental) | qiguo_wu@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum |
| Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| Chemical Shift Submissions |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 1H NMR Spectrum (1D, 500.11, CD3OD, simulated) | Not Available | Not Available | Not Available | 2024-05-11 | View Spectrum |
| Species |
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Species of Origin | Species Name | Source | Reference |
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annua | | |
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Chemical Taxonomy |
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Description | This compound belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. These are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Fatty Acyls |
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Sub Class | Fatty acyl glycosides |
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Direct Parent | Fatty acyl glycosides of mono- and disaccharides |
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Alternative Parents | |
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Substituents | - Fatty acyl glycoside of mono- or disaccharide
- Alkyl glycoside
- Glycerolipid
- Oxane
- Monosaccharide
- Tetrahydrofuran
- Tertiary alcohol
- Secondary alcohol
- Oxacycle
- Organoheterocyclic compound
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic 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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