| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:23 UTC |
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| Update Date | 2025-03-25 00:50:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179388 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21NO4 |
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| Molecular Mass | 291.1471 |
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| SMILES | COc1cccc(C=CC(=O)NC(CC(C)C)C(=O)O)c1 |
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| InChI Key | XBQGBABJAXBYMB-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 | leucine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsanisolescarbonyl compoundscarboxylic acidscinnamic acids and derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalkyl aryl ethercinnamic acid or derivativesorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidcarboxamide groupmethoxybenzenearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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