| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:09 UTC |
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| Update Date | 2025-03-21 18:41:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136681 |
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| Frequency | 18.3 |
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| Structure | |
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| Chemical Formula | C9H11NO2 |
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| Molecular Mass | 165.079 |
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| SMILES | COc1cccc(C(=O)CN)c1 |
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| InChI Key | ZMSGCJNAVDKWHD-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 | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesmethoxybenzenesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonebenzoylalkyl aryl ethermethoxybenzenearomatic homomonocyclic compoundorganic oxideanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundalkyl-phenylketone |
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