Record Information |
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Version | 1.0 |
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Created at | 2021-01-06 01:42:27 UTC |
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Updated at | 2021-07-15 17:23:47 UTC |
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NP-MRD ID | NP0016821 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Dechloropochonin I |
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Provided By | NPAtlas |
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Description | Dechloropochonin I is found in Paecilomyces sp. SC0924. It was first documented in 2017 (PMID: 28749671). Based on a literature review very few articles have been published on Dechloropochonin I. |
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Structure | [H]OC1=C([H])C(O[H])=C2C(=C1[H])C([H])([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])[C@]([H])(OC2=O)C([H])([H])[H] InChI=1S/C18H16O5/c1-10-6-11-4-2-3-5-14(11)15(20)8-12-7-13(19)9-16(21)17(12)18(22)23-10/h2-5,7,9-10,19,21H,6,8H2,1H3/t10-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C18H16O5 |
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Average Mass | 312.3210 Da |
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Monoisotopic Mass | 312.09977 Da |
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IUPAC Name | (12R)-6,8-dihydroxy-12-methyl-11-oxatricyclo[12.4.0.0^{4,9}]octadeca-1(18),4,6,8,14,16-hexaene-2,10-dione |
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Traditional Name | (12R)-6,8-dihydroxy-12-methyl-11-oxatricyclo[12.4.0.0^{4,9}]octadeca-1(18),4,6,8,14,16-hexaene-2,10-dione |
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CAS Registry Number | Not Available |
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SMILES | C[C@@H]1CC2=CC=CC=C2C(=O)CC2=CC(O)=CC(O)=C2C(=O)O1 |
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InChI Identifier | InChI=1S/C18H16O5/c1-10-6-11-4-2-3-5-14(11)15(20)8-12-7-13(19)9-16(21)17(12)18(22)23-10/h2-5,7,9-10,19,21H,6,8H2,1H3/t10-/m1/s1 |
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InChI Key | BMBJOTSBVCXPMP-SNVBAGLBSA-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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