| Record Information |
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| Version | 2.0 |
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| Created at | 2022-11-16 21:39:58 UTC |
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| Updated at | 2024-09-03 04:15:32 UTC |
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| NP-MRD ID | NP0331132 |
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| Natural Product DOI | https://doi.org/10.57994/0299 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Stigolone |
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| Description | Stigolone was first documented in 2022 (PMID: 35142496). |
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| Structure | [H][C@@]1(C[C@]2([H])C(C)=CC(=O)C[C@@]2(C)[C@H](O)[C@@H]1O)C(C)=C InChI=1S/C15H22O3/c1-8(2)11-6-12-9(3)5-10(16)7-15(12,4)14(18)13(11)17/h5,11-14,17-18H,1,6-7H2,2-4H3/t11-,12-,13-,14-,15-/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C15H22O3 |
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| Average Mass | 250.3380 Da |
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| Monoisotopic Mass | 250.15689 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 | [H][C@@]1(C[C@]2([H])C(C)=CC(=O)C[C@@]2(C)[C@H](O)[C@@H]1O)C(C)=C |
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| InChI Identifier | InChI=1S/C15H22O3/c1-8(2)11-6-12-9(3)5-10(16)7-15(12,4)14(18)13(11)17/h5,11-14,17-18H,1,6-7H2,2-4H3/t11-,12-,13-,14-,15-/m1/s1 |
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| InChI Key | CNSUTHNYYDBCKA-KJWHEZOQSA-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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| 1D_TOCSY NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D_TOCSY NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D_TOCSY NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D_TOCSY NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D_TOCSY NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D_TOCSY NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CD3OD, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | 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 | | Species Name | Source | Reference |
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| Scytonema sp. U-3-3 | | |
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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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