| Record Information |
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| Version | 2.0 |
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| Created at | 2021-01-05 20:44:53 UTC |
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| Updated at | 2021-07-15 17:07:33 UTC |
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| NP-MRD ID | NP0010956 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Exfoliazone |
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| Provided By | NPAtlas |
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| Description | Exfoliazone is found in Streptomyces and Streptomyces venezuelae. Exfoliazone was first documented in 1990 (PMID: 2276978). Based on a literature review very few articles have been published on N-[8-(hydroxymethyl)-3-oxo-3H-phenoxazin-2-yl]ethanimidic acid. |
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| Structure | [H]OC([H])([H])C1=C([H])C([H])=C2OC3=C([H])C(=O)C(N([H])C(=O)C([H])([H])[H])=C([H])C3=NC2=C1[H] InChI=1S/C15H12N2O4/c1-8(19)16-10-5-12-15(6-13(10)20)21-14-3-2-9(7-18)4-11(14)17-12/h2-6,18H,7H2,1H3,(H,16,19) |
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| Synonyms | | Value | Source |
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| N-[8-(Hydroxymethyl)-3-oxo-3H-phenoxazin-2-yl]ethanimidate | Generator |
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| Chemical Formula | C15H12N2O4 |
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| Average Mass | 284.2710 Da |
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| Monoisotopic Mass | 284.07971 Da |
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| IUPAC Name | N-[8-(hydroxymethyl)-3-oxo-3H-phenoxazin-2-yl]acetamide |
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| Traditional Name | N-[8-(hydroxymethyl)-3-oxophenoxazin-2-yl]acetamide |
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| CAS Registry Number | Not Available |
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| SMILES | CC(=O)NC1=CC2=NC3=C(OC2=CC1=O)C=CC(CO)=C3 |
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| InChI Identifier | InChI=1S/C15H12N2O4/c1-8(19)16-10-5-12-15(6-13(10)20)21-14-3-2-9(7-18)4-11(14)17-12/h2-6,18H,7H2,1H3,(H,16,19) |
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| InChI Key | AUBMZQABQDPFKS-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, 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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| Species Where Detected | |
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| Chemical Taxonomy |
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| Description | This compound belongs to the class of organic compounds known as phenoxazines. These are polycyclic aromatic compounds containing a phenoxazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a 1,4-oxazine ring. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Benzoxazines |
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| Sub Class | Phenoxazines |
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| Direct Parent | Phenoxazines |
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| Alternative Parents | |
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| Substituents | - Phenoxazine
- N-acetylarylamine
- N-arylamide
- Benzenoid
- Heteroaromatic compound
- Acetamide
- Carboxamide group
- Secondary carboxylic acid amide
- Cyclic ketone
- Carboxylic acid derivative
- Oxacycle
- Azacycle
- Alcohol
- Hydrocarbon derivative
- Aromatic alcohol
- Organic oxide
- Primary alcohol
- Organopnictogen compound
- Organooxygen compound
- Organonitrogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Carbonyl group
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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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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