| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:28 UTC |
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| Update Date | 2025-03-25 00:50:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181855 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12ClNO3 |
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| Molecular Mass | 241.0506 |
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| SMILES | O=C(O)C(=O)CCCNc1ccc(Cl)cc1 |
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| InChI Key | PXRSBYKNLICPDT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | phenylalkylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesamino acidsaryl chloridescarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundssecondary alkylarylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acid or derivativesamino acidorganochloridealpha-hydroxy ketonecarboxylic acid derivativeorganohalogen compoundketoneorganic oxidealpha-keto acidorganopnictogen compoundaryl chloridechlorobenzenesecondary aminesecondary aliphatic/aromatic aminearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidphenylalkylaminehydrocarbon derivativebenzenoidhalobenzeneorganooxygen compound |
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