Record Information |
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Version | 1.0 |
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Created at | 2023-11-29 04:09:06 UTC |
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Updated at | 2024-04-19 10:01:07 UTC |
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NP-MRD ID | NP0332147 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 9-O-Ethylmimosoidsone A |
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Description | Not Available |
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Structure | CCO[C@H](C1=CC=C(OC)C=C1)C1=COC2=CC(O)=CC=C2C1=O InChI=1S/C19H18O5/c1-3-23-19(12-4-7-14(22-2)8-5-12)16-11-24-17-10-13(20)6-9-15(17)18(16)21/h4-11,19-20H,3H2,1-2H3/t19-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C19H18O5 |
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Average Mass | 326.3480 Da |
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Monoisotopic Mass | 326.11542 Da |
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IUPAC Name | 3-[(R)-ethoxy(4-methoxyphenyl)methyl]-7-hydroxy-4H-chromen-4-one |
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Traditional Name | 3-[(R)-ethoxy(4-methoxyphenyl)methyl]-7-hydroxychromen-4-one |
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CAS Registry Number | Not Available |
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SMILES | CCO[C@H](C1=CC=C(OC)C=C1)C1=COC2=CC(O)=CC=C2C1=O |
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InChI Identifier | InChI=1S/C19H18O5/c1-3-23-19(12-4-7-14(22-2)8-5-12)16-11-24-17-10-13(20)6-9-15(17)18(16)21/h4-11,19-20H,3H2,1-2H3/t19-/m1/s1 |
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InChI Key | QPIWXIBTTVZEOF-LJQANCHMSA-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, 600 MHz, CD3OD, experimental) | wangxn@sdu.edu.cn | Shandong University | Xiao-Ning Wang | 2023-11-29 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | wangxn@sdu.edu.cn | Shandong University | Xiao-Ning Wang | 2023-11-29 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | wangxn@sdu.edu.cn | Shandong University | Xiao-Ning Wang | 2023-11-29 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | wangxn@sdu.edu.cn | Shandong University | Xiao-Ning Wang | 2023-11-29 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | wangxn@sdu.edu.cn | Shandong University | Xiao-Ning Wang | 2023-11-29 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, CD3OD, experimental) | wangxn@sdu.edu.cn | Shandong University | Xiao-Ning Wang | 2023-11-29 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Not Available |
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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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