Record Information |
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Version | 1.0 |
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Created at | 2022-09-07 00:45:27 UTC |
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Updated at | 2022-09-07 00:45:28 UTC |
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NP-MRD ID | NP0240841 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (+)-glucose; 6,7,8-trihydroxy-2-(2-hydroxyphenyl)-3,5-dimethoxychromen-4-one |
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Description | (+)-glucose; 6,7,8-trihydroxy-2-(2-hydroxyphenyl)-3,5-dimethoxychromen-4-one is found in Murraya paniculata. |
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Structure | OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O.COC1=C2C(=O)C(OC)=C(OC2=C(O)C(O)=C1O)C1=CC=CC=C1O InChI=1S/C17H14O8.C6H12O6/c1-23-15-9-10(19)17(24-2)14(7-5-3-4-6-8(7)18)25-16(9)13(22)11(20)12(15)21;7-1-3(9)5(11)6(12)4(10)2-8/h3-6,18,20-22H,1-2H3;1,3-6,8-12H,2H2/t;3-,4+,5+,6+/m.0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C23H26O14 |
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Average Mass | 526.4470 Da |
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Monoisotopic Mass | 526.13226 Da |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | Not Available |
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SMILES | OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O.COC1=C2C(=O)C(OC)=C(OC2=C(O)C(O)=C1O)C1=CC=CC=C1O |
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InChI Identifier | InChI=1S/C17H14O8.C6H12O6/c1-23-15-9-10(19)17(24-2)14(7-5-3-4-6-8(7)18)25-16(9)13(22)11(20)12(15)21;7-1-3(9)5(11)6(12)4(10)2-8/h3-6,18,20-22H,1-2H3;1,3-6,8-12H,2H2/t;3-,4+,5+,6+/m.0/s1 |
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InChI Key | ZBTBYCYSABFGLP-SSPAHAAFSA-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, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, 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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