Record Information |
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Version | 1.0 |
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Created at | 2022-09-08 10:22:45 UTC |
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Updated at | 2022-09-08 10:22:45 UTC |
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NP-MRD ID | NP0266142 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | [(2e)-4-[(1r,4r,7s,8s)-3-[(5e)-5-[carboxy(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxofuran-3-yl]-8-hydroxy-5,9-dioxotricyclo[5.4.0.0⁴,⁸]undeca-2,10-dien-11-yl]-3-hydroxy-5-oxofuran-2-ylidene](4-hydroxyphenyl)acetic acid |
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Description | [(2e)-4-[(1r,4r,7s,8s)-3-[(5e)-5-[carboxy(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxofuran-3-yl]-8-hydroxy-5,9-dioxotricyclo[5.4.0.0⁴,⁸]undeca-2,10-dien-11-yl]-3-hydroxy-5-oxofuran-2-ylidene](4-hydroxyphenyl)acetic acid is found in Chalciporus piperatus. |
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Structure | OC(=O)C(=C1\OC(=O)C(=C1O)C1=C[C@@H]2[C@@H]3CC(=O)[C@H]1[C@]3(O)C(=O)C=C2C1=C(O)C(OC1=O)=C(C(O)=O)C1=CC=C(O)C=C1)\C1=CC=C(O)C=C1 InChI=1S/C35H22O15/c36-14-5-1-12(2-6-14)22(31(42)43)29-27(40)24(33(46)49-29)17-10-21(39)35(48)19-11-20(38)26(35)18(9-16(17)19)25-28(41)30(50-34(25)47)23(32(44)45)13-3-7-15(37)8-4-13/h1-10,16,19,26,36-37,40-41,48H,11H2,(H,42,43)(H,44,45)/b29-22+,30-23+/t16-,19-,26?,35+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C35H22O15 |
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Average Mass | 682.5460 Da |
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Monoisotopic Mass | 682.09587 Da |
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IUPAC Name | 2-[(2E)-4-[(1R,4R,7S,8S)-3-[(5E)-5-[carboxy(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxo-2,5-dihydrofuran-3-yl]-8-hydroxy-5,9-dioxotricyclo[5.4.0.0^{4,8}]undeca-2,10-dien-11-yl]-3-hydroxy-5-oxo-2,5-dihydrofuran-2-ylidene]-2-(4-hydroxyphenyl)acetic acid |
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Traditional Name | [(2E)-4-[(1R,4R,7S,8S)-3-[(5E)-5-[carboxy(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxofuran-3-yl]-8-hydroxy-5,9-dioxotricyclo[5.4.0.0^{4,8}]undeca-2,10-dien-11-yl]-3-hydroxy-5-oxofuran-2-ylidene](4-hydroxyphenyl)acetic acid |
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CAS Registry Number | Not Available |
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SMILES | OC(=O)C(=C1\OC(=O)C(=C1O)C1=C[C@@H]2[C@@H]3CC(=O)[C@H]1[C@]3(O)C(=O)C=C2C1=C(O)C(OC1=O)=C(C(O)=O)C1=CC=C(O)C=C1)\C1=CC=C(O)C=C1 |
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InChI Identifier | InChI=1S/C35H22O15/c36-14-5-1-12(2-6-14)22(31(42)43)29-27(40)24(33(46)49-29)17-10-21(39)35(48)19-11-20(38)26(35)18(9-16(17)19)25-28(41)30(50-34(25)47)23(32(44)45)13-3-7-15(37)8-4-13/h1-10,16,19,26,36-37,40-41,48H,11H2,(H,42,43)(H,44,45)/b29-22+,30-23+/t16-,19-,26?,35+/m0/s1 |
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InChI Key | JEGJGBXUGRKIAV-LMLYVJTHSA-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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