Record Information |
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Version | 1.0 |
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Created at | 2021-01-06 03:23:41 UTC |
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Updated at | 2021-07-15 17:29:06 UTC |
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NP-MRD ID | NP0018767 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Streptoglyceride D |
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Provided By | NPAtlas |
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Description | Streptoglyceride D is found in Streptomyces sp. It was first documented in 2018 (PMID: 30259746). Based on a literature review very few articles have been published on Streptoglyceride D. |
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Structure | [H]N([H])C1=C([H])C([H])=C([H])C([H])=C1C(=O)O[C@@]12C([H])([H])O[C@@]3([H])C([H])([H])C([H])([H])O[C@](OC1([H])[H])(C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])[H])[C@@]23[H] InChI=1S/C22H25NO5/c1-2-3-4-5-8-12-22-19-18(11-13-26-22)25-14-21(19,15-27-22)28-20(24)16-9-6-7-10-17(16)23/h2-10,12,18-19H,11,13-15,23H2,1H3/b3-2+,5-4+,12-8+/t18-,19+,21-,22-/m0/s1 |
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Synonyms | Value | Source |
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(1S,4S,7S,11R)-7-[(1E,3E,5E)-Hepta-1,3,5-trien-1-yl]-2,6,8-trioxatricyclo[5.3.1.0,]undecan-4-yl 2-aminobenzoic acid | Generator |
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Chemical Formula | C22H25NO5 |
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Average Mass | 383.4440 Da |
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Monoisotopic Mass | 383.17327 Da |
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IUPAC Name | (1S,4S,7S,11R)-7-[(1E,3E,5E)-hepta-1,3,5-trien-1-yl]-2,6,8-trioxatricyclo[5.3.1.0^{4,11}]undecan-4-yl 2-aminobenzoate |
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Traditional Name | (1S,4S,7S,11R)-7-[(1E,3E,5E)-hepta-1,3,5-trien-1-yl]-2,6,8-trioxatricyclo[5.3.1.0^{4,11}]undecan-4-yl 2-aminobenzoate |
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CAS Registry Number | Not Available |
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SMILES | C\C=C\C=C\C=C\[C@@]12OC[C@]3(CO[C@@H](CCO1)[C@@H]23)OC(=O)C1=CC=CC=C1N |
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InChI Identifier | InChI=1S/C22H25NO5/c1-2-3-4-5-8-12-22-19-18(11-13-26-22)25-14-21(19,15-27-22)28-20(24)16-9-6-7-10-17(16)23/h2-10,12,18-19H,11,13-15,23H2,1H3/b3-2+,5-4+,12-8+/t18-,19+,21-,22-/m0/s1 |
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InChI Key | HPYHHCISGKKBRS-JMQVMKAXSA-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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