| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:36:53 UTC |
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| Update Date | 2025-03-21 19:59:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00289582 |
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| Frequency | 6.9 |
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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)c1cc(C)no1 |
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| InChI Key | MOBMLOWIGFJSCP-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 | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesisoxazolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | aryl alkyl ketonearomatic heteromonocyclic compoundazacycleheteroaromatic compoundisoxazoleoxacycleorganic oxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundazole |
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