Record Information |
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Version | 1.0 |
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Created at | 2023-09-27 04:11:46 UTC |
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Updated at | 2024-04-19 09:55:00 UTC |
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NP-MRD ID | NP0331894 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Acidonemycin C |
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Description | Not Available |
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Structure | C[C@@H]1CC(=O)C2=C(C1)C=CC(O)=C2[C@@H]1OC(=O)C2=C(OC3OC([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=CC=C12 InChI=1S/C25H24O11/c1-9-7-10-5-6-12(26)17(15(10)13(27)8-9)21-11-3-2-4-14(16(11)24(33)35-21)34-25-20(30)18(28)19(29)22(36-25)23(31)32/h2-6,9,18-22,25-26,28-30H,7-8H2,1H3,(H,31,32)/t9-,18-,19-,20+,21+,22?,25?/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C25H24O11 |
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Average Mass | 500.4560 Da |
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Monoisotopic Mass | 500.13186 Da |
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IUPAC Name | (3S,4S,5R)-3,4,5-trihydroxy-6-{[(1R)-1-[(6S)-2-hydroxy-6-methyl-8-oxo-5,6,7,8-tetrahydronaphthalen-1-yl]-3-oxo-1,3-dihydro-2-benzofuran-4-yl]oxy}oxane-2-carboxylic acid |
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Traditional Name | (3S,4S,5R)-3,4,5-trihydroxy-6-{[(1R)-1-[(6S)-2-hydroxy-6-methyl-8-oxo-6,7-dihydro-5H-naphthalen-1-yl]-3-oxo-1H-2-benzofuran-4-yl]oxy}oxane-2-carboxylic acid |
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CAS Registry Number | Not Available |
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SMILES | C[C@@H]1CC(=O)C2=C(C1)C=CC(O)=C2[C@@H]1OC(=O)C2=C(OC3OC([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=CC=C12 |
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InChI Identifier | InChI=1S/C25H24O11/c1-9-7-10-5-6-12(26)17(15(10)13(27)8-9)21-11-3-2-4-14(16(11)24(33)35-21)34-25-20(30)18(28)19(29)22(36-25)23(31)32/h2-6,9,18-22,25-26,28-30H,7-8H2,1H3,(H,31,32)/t9-,18-,19-,20+,21+,22?,25?/m0/s1 |
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InChI Key | KEJOONYJEOSAJT-LLWNZQJOSA-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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HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | hkang@konkuk.ac.kr | Not Available | Not Available | 2023-09-27 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | hkang@konkuk.ac.kr | Not Available | Not Available | 2023-09-27 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | hkang@konkuk.ac.kr | Not Available | Not Available | 2023-09-27 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, C2D6OS, experimental) | hkang@konkuk.ac.kr | Not Available | Not Available | 2023-09-27 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | hkang@konkuk.ac.kr | Not Available | Not Available | 2023-09-27 | 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 | Not Available |
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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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