| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:39:27 UTC |
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| Update Date | 2025-03-24 22:18:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01152512 |
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| Frequency | 1.2 |
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| Structure | |
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| Chemical Formula | C6H7NO2 |
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| Molecular Mass | 125.0477 |
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| SMILES | CC(=O)c1coc(C)n1 |
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| InChI Key | ISOKAIBBJGQLEO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl alkyl ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2,4-disubstituted oxazolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | aryl alkyl ketonearomatic heteromonocyclic compoundazacycleheteroaromatic compoundoxazoleoxacycleorganic oxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound2,4-disubstituted 1,3-oxazoleorganoheterocyclic compoundazole |
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