| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:12 UTC |
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| Update Date | 2025-03-21 18:02:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036631 |
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| Frequency | 96.4 |
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| Structure | |
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| Chemical Formula | C11H13NO4 |
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| Molecular Mass | 223.0845 |
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| SMILES | COc1cccc(C(=O)CC(N)C(=O)O)c1 |
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| InChI Key | YFSJVMZKNPQZOM-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 ethersalpha amino acidsanisolesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmethoxybenzenesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyethercarboxylic acidaryl alkyl ketonebenzoylalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmethoxybenzenegamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesanisoleketo acidhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundalkyl-phenylketone |
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