Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 02:42:27 UTC |
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Updated at | 2021-07-15 16:52:07 UTC |
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NP-MRD ID | NP0005479 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Dictyophaeric acid A |
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Provided By | NPAtlas |
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Description | Dictyophaeric acid A is found in Penicillium. It was first documented in 2004 (PMID: 15332862). Based on a literature review very few articles have been published on (2E,4E,6E)-7-[(1S,2R,6S,12S,16S)-1,2-dihydroxy-6-methyl-8,15-dioxo-7,11-dioxatricyclo[7.6.1.0¹²,¹⁶]Hexadeca-9,13-dien-10-yl]hepta-2,4,6-trienoic acid (PMID: 20583023). |
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Structure | [H]OC(=O)C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])C1=C2C(=O)O[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(O[H])[C@]3(O[H])C(=O)C([H])=C([H])[C@]([H])(O1)[C@]23[H] InChI=1S/C22H24O8/c1-13-7-6-9-16(23)22(28)17(24)12-11-15-20(22)19(21(27)29-13)14(30-15)8-4-2-3-5-10-18(25)26/h2-5,8,10-13,15-16,20,23,28H,6-7,9H2,1H3,(H,25,26)/b3-2+,8-4+,10-5+/t13-,15-,16+,20+,22-/m0/s1 |
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Synonyms | Value | Source |
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(2E,4E,6E)-7-[(1S,2R,6S,12S,16S)-1,2-Dihydroxy-6-methyl-8,15-dioxo-7,11-dioxatricyclo[7.6.1.0,]hexadeca-9,13-dien-10-yl]hepta-2,4,6-trienoate | Generator | Dictyosphaerate a | Generator |
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Chemical Formula | C22H24O8 |
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Average Mass | 416.4260 Da |
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Monoisotopic Mass | 416.14712 Da |
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IUPAC Name | (2E,4E,6E)-7-[(1S,2R,6S,12S,16S)-1,2-dihydroxy-6-methyl-8,15-dioxo-7,11-dioxatricyclo[7.6.1.0^{12,16}]hexadeca-9,13-dien-10-yl]hepta-2,4,6-trienoic acid |
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Traditional Name | (2E,4E,6E)-7-[(1S,2R,6S,12S,16S)-1,2-dihydroxy-6-methyl-8,15-dioxo-7,11-dioxatricyclo[7.6.1.0^{12,16}]hexadeca-9,13-dien-10-yl]hepta-2,4,6-trienoic acid |
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CAS Registry Number | Not Available |
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SMILES | C[C@H]1CCC[C@@H](O)[C@@]2(O)[C@@H]3[C@@H](OC(\C=C\C=C\C=C\C(O)=O)=C3C(=O)O1)C=CC2=O |
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InChI Identifier | InChI=1S/C22H24O8/c1-13-7-6-9-16(23)22(28)17(24)12-11-15-20(22)19(21(27)29-13)14(30-15)8-4-2-3-5-10-18(25)26/h2-5,8,10-13,15-16,20,23,28H,6-7,9H2,1H3,(H,25,26)/b3-2+,8-4+,10-5+/t13-,15-,16+,20+,22-/m0/s1 |
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InChI Key | JKARFACNOWLYIZ-LMBUFRTKSA-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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