Record Information |
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Version | 1.0 |
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Created at | 2022-09-02 16:42:03 UTC |
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Updated at | 2022-09-02 16:42:03 UTC |
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NP-MRD ID | NP0159017 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 2-(2-{4-[2-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy}-3,5-dihydroxyphenoxy)benzene-1,3,5-triol |
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Description | 2-(2-{4-[2-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy}-3,5-dihydroxyphenoxy)benzene-1,3,5-triol is found in Sargassum spinuligerum. |
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Structure | OC1=CC(OC2=C(O)C=C(O)C=C2OC2=C(O)C=C(OC3=C(O)C=C(O)C=C3OC3=C(O)C=C(O)C=C3O)C=C2O)=CC(O)=C1 InChI=1S/C30H22O15/c31-12-1-13(32)3-17(2-12)42-29-21(38)6-15(34)8-25(29)45-28-23(40)10-18(11-24(28)41)43-30-22(39)7-16(35)9-26(30)44-27-19(36)4-14(33)5-20(27)37/h1-11,31-41H |
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Synonyms | Not Available |
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Chemical Formula | C30H22O15 |
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Average Mass | 622.4910 Da |
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Monoisotopic Mass | 622.09587 Da |
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IUPAC Name | 2-(2-{4-[2-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy}-3,5-dihydroxyphenoxy)benzene-1,3,5-triol |
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Traditional Name | 2-(2-{4-[2-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy}-3,5-dihydroxyphenoxy)benzene-1,3,5-triol |
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CAS Registry Number | Not Available |
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SMILES | OC1=CC(OC2=C(O)C=C(O)C=C2OC2=C(O)C=C(OC3=C(O)C=C(O)C=C3OC3=C(O)C=C(O)C=C3O)C=C2O)=CC(O)=C1 |
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InChI Identifier | InChI=1S/C30H22O15/c31-12-1-13(32)3-17(2-12)42-29-21(38)6-15(34)8-25(29)45-28-23(40)10-18(11-24(28)41)43-30-22(39)7-16(35)9-26(30)44-27-19(36)4-14(33)5-20(27)37/h1-11,31-41H |
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InChI Key | HDQRHNCYJDWSSL-UHFFFAOYSA-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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