Record Information |
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Version | 1.0 |
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Created at | 2021-01-06 01:35:53 UTC |
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Updated at | 2021-07-15 17:23:24 UTC |
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NP-MRD ID | NP0016688 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Trichbenzoisochromen A |
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Provided By | NPAtlas |
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Description | Trichbenzoisochromen A is found in Trichoderma. It was first documented in 2018 (PMID: 28592143). Based on a literature review very few articles have been published on Trichbenzoisochromen A. |
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Structure | [H]OC1=C([H])C(O[H])=C2C(=C1[H])C([H])=C1C([H])=C(OC([H])([H])[C@]1(O[H])C2=O)C([H])([H])[H] InChI=1S/C14H12O5/c1-7-2-9-3-8-4-10(15)5-11(16)12(8)13(17)14(9,18)6-19-7/h2-5,15-16,18H,6H2,1H3/t14-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C14H12O5 |
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Average Mass | 260.2450 Da |
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Monoisotopic Mass | 260.06847 Da |
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IUPAC Name | (10aS)-7,9,10a-trihydroxy-3-methyl-1H,10H,10aH-benzo[g]isochromen-10-one |
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Traditional Name | (10aS)-7,9,10a-trihydroxy-3-methyl-1H-benzo[g]isochromen-10-one |
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CAS Registry Number | Not Available |
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SMILES | CC1=CC2=CC3=CC(O)=CC(O)=C3C(=O)[C@@]2(O)CO1 |
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InChI Identifier | InChI=1S/C14H12O5/c1-7-2-9-3-8-4-10(15)5-11(16)12(8)13(17)14(9,18)6-19-7/h2-5,15-16,18H,6H2,1H3/t14-/m1/s1 |
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InChI Key | XOVRKSIVJVEJQA-CQSZACIVSA-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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