Record Information |
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Version | 2.0 |
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Created at | 2021-06-21 00:22:47 UTC |
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Updated at | 2021-06-30 00:18:06 UTC |
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NP-MRD ID | NP0042804 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | luteolin 8-C-beta-kerriopyranoside |
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Provided By | JEOL Database |
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Description | luteolin 8-C-beta-kerriopyranoside is found in Arthraxon hispidus. luteolin 8-C-beta-kerriopyranoside was first documented in 2013 (Quan, G.-H., et al.). |
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Structure | [H]OC1=C([H])C([H])=C(C([H])=C1O[H])C1=C([H])C(=O)C2=C(O[H])C([H])=C(O[H])C(=C2O1)[C@@]1([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])C(=O)C1([H])[H] InChI=1S/C21H18O9/c1-8-20(28)15(27)7-17(29-8)19-13(25)5-12(24)18-14(26)6-16(30-21(18)19)9-2-3-10(22)11(23)4-9/h2-6,8,17,20,22-25,28H,7H2,1H3/t8-,17-,20-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C21H18O9 |
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Average Mass | 414.3660 Da |
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Monoisotopic Mass | 414.09508 Da |
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IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,5S,6S)-5-hydroxy-6-methyl-4-oxooxan-2-yl]-4H-chromen-4-one |
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Traditional Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,5S,6S)-5-hydroxy-6-methyl-4-oxooxan-2-yl]chromen-4-one |
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CAS Registry Number | Not Available |
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SMILES | [H]OC1=C([H])C([H])=C(C([H])=C1O[H])C1=C([H])C(=O)C2=C(O[H])C([H])=C(O[H])C(=C2O1)[C@@]1([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])C(=O)C1([H])[H] |
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InChI Identifier | InChI=1S/C21H18O9/c1-8-20(28)15(27)7-17(29-8)19-13(25)5-12(24)18-14(26)6-16(30-21(18)19)9-2-3-10(22)11(23)4-9/h2-6,8,17,20,22-25,28H,7H2,1H3/t8-,17-,20-/m0/s1 |
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InChI Key | ANPHQBIIOXXORB-KDKLKJLKSA-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, 400 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 600 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, DMSO-d6, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, DMSO-d6, 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 | Species Name | Source | Reference |
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Arthraxon hispidus | JEOL database | - Quan, G.-H., et al., Chem. Pharm. Bull. 61, 920 (2013)
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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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