Record Information |
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Version | 1.0 |
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Created at | 2021-01-06 04:49:51 UTC |
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Updated at | 2021-07-15 17:30:31 UTC |
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NP-MRD ID | NP0019266 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Ustilanthracin A |
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Provided By | NPAtlas![NPAtlas Logo](/attributions/npatlas_logo_square_small.png) |
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Description | Ustilanthracin A is found in Ustilaginoidea virens. It was first documented in 2019 (PMID: 30785293). Based on a literature review very few articles have been published on Ustilanthracin A (PMID: 34340252) (PMID: 34337505) (PMID: 34369645) (PMID: 34364329). |
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Structure | [H]OC(=O)C([H])([H])[C@]1(OC2=C(O1)C(O[H])=C1C(=O)C3=C(C(=O)C1=C2[H])C(=C(O[H])C(=C3[H])C(=O)C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] InChI=1S/C25H20O9/c1-4-5-6-7-15(26)12-8-13-18(11(2)20(12)29)21(30)14-9-16-24(23(32)19(14)22(13)31)34-25(3,33-16)10-17(27)28/h4-9,29,32H,10H2,1-3H3,(H,27,28)/b5-4+,7-6+/t25-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C25H20O9 |
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Average Mass | 464.4260 Da |
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Monoisotopic Mass | 464.11073 Da |
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IUPAC Name | 2-[(2S)-7-[(2E,4E)-hexa-2,4-dienoyl]-4,8-dihydroxy-2,9-dimethyl-5,10-dioxo-2H,5H,10H-anthra[2,3-d][1,3]dioxol-2-yl]acetic acid |
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Traditional Name | [(2S)-7-[(2E,4E)-hexa-2,4-dienoyl]-4,8-dihydroxy-2,9-dimethyl-5,10-dioxoanthra[2,3-d][1,3]dioxol-2-yl]acetic acid |
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CAS Registry Number | Not Available |
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SMILES | C\C=C\C=C\C(=O)C1=C(O)C(C)=C2C(=O)C3=CC4=C(O[C@@](C)(CC(O)=O)O4)C(O)=C3C(=O)C2=C1 |
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InChI Identifier | InChI=1S/C25H20O9/c1-4-5-6-7-15(26)12-8-13-18(11(2)20(12)29)21(30)14-9-16-24(23(32)19(14)22(13)31)34-25(3,33-16)10-17(27)28/h4-9,29,32H,10H2,1-3H3,(H,27,28)/b5-4+,7-6+/t25-/m0/s1 |
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InChI Key | YVOQJGSSXKAJIL-ADJWHJFPSA-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, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, 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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General References | - Lai D, Meng J, Zhang X, Xu D, Dai J, Zhou L: Ustilobisorbicillinol A, a Cytotoxic Sorbyl-Containing Aromatic Polyketide from Ustilaginoidea virens. Org Lett. 2019 Mar 1;21(5):1311-1314. doi: 10.1021/acs.orglett.8b04101. Epub 2019 Feb 20. [PubMed:30785293 ]
- Liu W, Xue F, Poon MC, Chen L, Jin Z, Zhang L, Yang R: Current status of haemophilia inhibitor management in mainland China: a haemophilia treatment centres survey on treatment preferences and real-world clinical practices. Br J Haematol. 2021 Aug 2. doi: 10.1111/bjh.17677. [PubMed:34340252 ]
- Moller T, Engedal MS, Plum LM, Aasvang EK: Reduced Need for Urinary Bladder Catheterization in the Postanesthesia Care Unit After Implementation of an Evidence-based Protocol: A Prospective Cohort Comparison Study. Eur Urol Open Sci. 2021 Feb 16;26:27-34. doi: 10.1016/j.euros.2021.01.013. eCollection 2021 Apr. [PubMed:34337505 ]
- Ji K, Alharbi KN, Solana-Madruga E, Moyo GT, Ritter C, Attfield JP: Double double to double perovskite transformations in ternary manganese oxides. Angew Chem Int Ed Engl. 2021 Aug 9. doi: 10.1002/anie.202108586. [PubMed:34369645 ]
- Patanen M, Abid AR, Pratt ST, Kivimaki A, Trofimov AB, Skitnevskaya AD, Grigoricheva EK, Gromov EV, Powis I, Holland DMP: Valence shell photoelectron angular distributions and vibrationally resolved spectra of imidazole: A combined experimental-theoretical study. J Chem Phys. 2021 Aug 7;155(5):054304. doi: 10.1063/5.0058983. [PubMed:34364329 ]
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