Record Information |
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Version | 1.0 |
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Created at | 2021-01-06 04:56:05 UTC |
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Updated at | 2021-07-15 17:30:53 UTC |
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NP-MRD ID | NP0019410 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Macrosporusone D |
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Provided By | NPAtlas |
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Description | Macrosporusone D is found in Talaromyces and Talaromyces macrosporus. It was first documented in 2019 (PMID: 30898727). Based on a literature review very few articles have been published on (1S,14R,24S)-3,9,19,24-tetrahydroxy-5-methoxy-17-methyl-6,22-dioxaheptacyclo[12.9.1.1¹,¹⁶.1⁴,⁸.0²,¹³.0¹²,²⁶.0²⁰,²⁵]Hexacosa-2(13),3,8,10,12(26),16(25),17,19-octaene-7,15,21-trione. |
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Structure | [H]OC1=C([H])C([H])=C2C3=C(C(O[H])=C4C2=C1C(=O)O[C@@]4([H])OC([H])([H])[H])[C@]12C4=C(C(=O)[C@@]3([H])[C@]1([H])O[H])C(=C([H])C(O[H])=C4C(=O)OC2([H])[H])C([H])([H])[H] InChI=1S/C26H18O10/c1-7-5-10(28)15-18-11(7)20(29)16-13-8-3-4-9(27)14-12(8)17(25(34-2)36-24(14)33)21(30)19(13)26(18,22(16)31)6-35-23(15)32/h3-5,16,22,25,27-28,30-31H,6H2,1-2H3/t16-,22-,25+,26-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C26H18O10 |
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Average Mass | 490.4200 Da |
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Monoisotopic Mass | 490.09000 Da |
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IUPAC Name | (1S,5R,14R,24S)-3,9,19,24-tetrahydroxy-5-methoxy-17-methyl-6,22-dioxaheptacyclo[12.9.1.1^{1,16}.1^{4,8}.0^{2,13}.0^{12,26}.0^{20,25}]hexacosa-2(13),3,8(26),9,11,16(25),17,19-octaene-7,15,21-trione |
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Traditional Name | (1S,5R,14R,24S)-3,9,19,24-tetrahydroxy-5-methoxy-17-methyl-6,22-dioxaheptacyclo[12.9.1.1^{1,16}.1^{4,8}.0^{2,13}.0^{12,26}.0^{20,25}]hexacosa-2(13),3,8(26),9,11,16(25),17,19-octaene-7,15,21-trione |
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CAS Registry Number | Not Available |
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SMILES | COC1OC(=O)C2=C(O)C=CC3=C4[C@@H]5[C@H](O)[C@]6(COC(=O)C7=C(O)C=C(C)C(C5=O)=C67)C4=C(O)C1=C23 |
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InChI Identifier | InChI=1S/C26H18O10/c1-7-5-10(28)15-18-11(7)20(29)16-13-8-3-4-9(27)14-12(8)17(25(34-2)36-24(14)33)21(30)19(13)26(18,22(16)31)6-35-23(15)32/h3-5,16,22,25,27-28,30-31H,6H2,1-2H3/t16-,22-,25?,26-/m0/s1 |
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InChI Key | WZJUDSHVYVPUAR-WSIOJEQCSA-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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