Record Information |
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Version | 2.0 |
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Created at | 2021-01-05 21:31:15 UTC |
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Updated at | 2021-07-15 17:10:35 UTC |
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NP-MRD ID | NP0012009 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Frenolicin D |
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Provided By | NPAtlas |
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Description | Frenolicin D is found in Streptomyces sp. RM-4-15. It was first documented in 2001 (PMID: 11739875). Based on a literature review a small amount of articles have been published on Frenolicin D (PMID: 23944931) (PMID: 21901521) (PMID: 23088749). |
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Structure | [H]OC(=O)C([H])([H])[C@@]1([H])O[C@]([H])(C([H])([H])C([H])([H])C([H])([H])[H])[C@]2(O[H])C(=O)C3=C(O[H])C([H])=C([H])C([H])=C3C(=O)[C@]2(O[H])C1([H])[H] InChI=1S/C18H20O8/c1-2-4-12-18(25)16(23)14-10(5-3-6-11(14)19)15(22)17(18,24)8-9(26-12)7-13(20)21/h3,5-6,9,12,19,24-25H,2,4,7-8H2,1H3,(H,20,21)/t9-,12-,17-,18+/m1/s1 |
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Synonyms | Value | Source |
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2-[(1R,3S,4AS,10ar)-4a,9,10a-trihydroxy-5,10-dioxo-1-propyl-1H,3H,4H,4ah,5H,10H,10ah-naphtho[2,3-c]pyran-3-yl]acetate | Generator |
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Chemical Formula | C18H20O8 |
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Average Mass | 364.3500 Da |
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Monoisotopic Mass | 364.11582 Da |
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IUPAC Name | 2-[(1R,3S,4aS,10aR)-4a,9,10a-trihydroxy-5,10-dioxo-1-propyl-1H,3H,4H,4aH,5H,10H,10aH-naphtho[2,3-c]pyran-3-yl]acetic acid |
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Traditional Name | [(1R,3S,4aS,10aR)-4a,9,10a-trihydroxy-5,10-dioxo-1-propyl-1H,3H,4H-naphtho[2,3-c]pyran-3-yl]acetic acid |
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CAS Registry Number | Not Available |
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SMILES | CCC[C@H]1O[C@H](CC(O)=O)C[C@@]2(O)C(=O)C3=C(C(O)=CC=C3)C(=O)[C@@]12O |
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InChI Identifier | InChI=1S/C18H20O8/c1-2-4-12-18(25)16(23)14-10(5-3-6-11(14)19)15(22)17(18,24)8-9(26-12)7-13(20)21/h3,5-6,9,12,19,24-25H,2,4,7-8H2,1H3,(H,20,21)/t9-,12-,17-,18+/m1/s1 |
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InChI Key | XDYYASNFOIEXFT-KSVPUCKHSA-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, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, 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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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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