| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:05 UTC |
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| Update Date | 2025-03-21 18:41:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132004 |
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| Frequency | 19.2 |
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| Structure | |
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| Chemical Formula | C13H17NO3 |
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| Molecular Mass | 235.1208 |
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| SMILES | CC(=O)C(Cc1ccccc1)NC(C)C(=O)O |
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| InChI Key | JJHXDQPWNKXNCB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsamphetamines and derivativesbenzene and substituted derivativescarboxylic acidsdialkylamineshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativessecondary aliphatic aminesecondary aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundalanine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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