Record Information |
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Version | 1.0 |
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Created at | 2021-06-19 17:36:15 UTC |
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Updated at | 2021-06-29 23:50:29 UTC |
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NP-MRD ID | NP0025491 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Vertilecanin A |
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Provided By | JEOL Database |
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Description | Vertilecanin A is found in Verticillium lecanii and Veticillium lecanii. It was first documented in 2001 (Soman, A. G., et al.). Based on a literature review very few articles have been published on 5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carboxylic acid. |
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Structure | [H]OC(=O)C1=NC([H])=C(C([H])=C1[H])[C@]([H])(O[H])C1=C([H])C([H])=C([H])C([H])=C1[H] InChI=1S/C13H11NO3/c15-12(9-4-2-1-3-5-9)10-6-7-11(13(16)17)14-8-10/h1-8,12,15H,(H,16,17)/t12-/m1/s1 |
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Synonyms | Value | Source |
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5-[(R)-Hydroxy(phenyl)methyl]pyridine-2-carboxylate | Generator |
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Chemical Formula | C13H11NO3 |
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Average Mass | 229.2350 Da |
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Monoisotopic Mass | 229.07389 Da |
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IUPAC Name | 5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carboxylic acid |
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Traditional Name | 5-[(R)-hydroxy(phenyl)methyl]pyridine-2-carboxylic acid |
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CAS Registry Number | Not Available |
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SMILES | [H]OC(=O)C1=NC([H])=C(C([H])=C1[H])[C@]([H])(O[H])C1=C([H])C([H])=C([H])C([H])=C1[H] |
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InChI Identifier | InChI=1S/C13H11NO3/c15-12(9-4-2-1-3-5-9)10-6-7-11(13(16)17)14-8-10/h1-8,12,15H,(H,16,17)/t12-/m1/s1 |
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InChI Key | BMTGCDDXYNEVRV-GFCCVEGCSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 300 MHz, acetone-d6(H) ; CD3OD(C), simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, acetone-d6(H) ; CD3OD(C), simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, acetone-d6(H) ; CD3OD(C), simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, acetone-d6(H) ; CD3OD(C), simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, acetone-d6(H) ; CD3OD(C), simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, acetone-d6(H) ; CD3OD(C), simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, acetone-d6(H) ; CD3OD(C), simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, acetone-d6(H) ; CD3OD(C), simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, acetone-d6(H) ; CD3OD(C), simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, acetone-d6(H) ; CD3OD(C), simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 600 MHz, acetone-d6(H) ; CD3OD(C), simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, acetone-d6(H) ; CD3OD(C), simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, acetone-d6(H) ; CD3OD(C), simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, acetone-d6(H) ; CD3OD(C), simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, acetone-d6(H) ; CD3OD(C), simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, acetone-d6(H) ; CD3OD(C), simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, acetone-d6(H) ; CD3OD(C), simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, acetone-d6(H) ; CD3OD(C), simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, acetone-d6(H) ; CD3OD(C), simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, acetone-d6(H) ; CD3OD(C), simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
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| Not Available | 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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