| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:20 UTC |
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| Update Date | 2025-03-21 18:03:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046565 |
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| Frequency | 71.9 |
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| Structure | |
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| Chemical Formula | C12H15NO3 |
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| Molecular Mass | 221.1052 |
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| SMILES | COc1ccccc1C(=O)CCNC(C)=O |
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| InChI Key | WISWZJYJVWZZOS-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 | acetamidesalkyl aryl ethersanisolesaryl alkyl ketonesbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonebenzoylalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidecarboxamide groupmethoxybenzenearomatic homomonocyclic compoundsecondary carboxylic acid amideanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundalkyl-phenylketone |
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