Record Information |
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Version | 2.0 |
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Created at | 2022-12-21 21:15:07 UTC |
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Updated at | 2024-09-03 04:15:03 UTC |
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NP-MRD ID | NP0331246 |
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Natural Product DOI | https://doi.org/10.57994/0134 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Malahupin A |
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Description | Not Available |
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Structure | CC(C1=CC=C(O)C=C1)C1=C(O)C=C(O)C(C(=O)CCC2=CC=C(O)C=C2)=C1O InChI=1S/C23H22O6/c1-13(15-5-9-17(25)10-6-15)21-19(27)12-20(28)22(23(21)29)18(26)11-4-14-2-7-16(24)8-3-14/h2-3,5-10,12-13,24-25,27-29H,4,11H2,1H3 |
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Synonyms | Not Available |
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Chemical Formula | C23H22O6 |
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Average Mass | 394.4230 Da |
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Monoisotopic Mass | 394.14164 Da |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | Not Available |
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SMILES | CC(C1=CC=C(O)C=C1)C1=C(O)C=C(O)C(C(=O)CCC2=CC=C(O)C=C2)=C1O |
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InChI Identifier | InChI=1S/C23H22O6/c1-13(15-5-9-17(25)10-6-15)21-19(27)12-20(28)22(23(21)29)18(26)11-4-14-2-7-16(24)8-3-14/h2-3,5-10,12-13,24-25,27-29H,4,11H2,1H3 |
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InChI Key | IELTVDDXGARHFA-UHFFFAOYSA-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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COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | chenhp@mail.scuec.edu.cn | Not Available | Not Available | 2022-12-21 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | chenhp@mail.scuec.edu.cn | Not Available | Not Available | 2022-12-21 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | chenhp@mail.scuec.edu.cn | Not Available | Not Available | 2022-12-21 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | chenhp@mail.scuec.edu.cn | Not Available | Not Available | 2022-12-21 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CD3OD, experimental) | chenhp@mail.scuec.edu.cn | Not Available | Not Available | 2022-12-21 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CD3OD, experimental) | chenhp@mail.scuec.edu.cn | Not Available | Not Available | 2022-12-21 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CD3OD, experimental) | chenhp@mail.scuec.edu.cn | Not Available | Not Available | 2022-12-21 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | chenhp@mail.scuec.edu.cn | Not Available | Not Available | 2022-12-21 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | chenhp@mail.scuec.edu.cn | Not Available | Not Available | 2022-12-21 | 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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| 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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