| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:24 UTC |
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| Update Date | 2025-03-25 00:54:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209071 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19NO4 |
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| Molecular Mass | 277.1314 |
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| SMILES | CC(C)C(=O)c1ccc(C(C)C(=O)NCC(=O)O)cc1 |
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| InChI Key | FIDBLTNXTOTWCV-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 | acyl glycines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl-phenylketonesalpha amino acidsaromatic monoterpenoidsaryl alkyl ketonesbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylacetamidesphenylpropanessecondary carboxylic acid amides |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidaryl alkyl ketonebenzoylp-cymeneketonephenylpropaneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenylacetamidecarboxamide groupn-acylglycinephenylketonearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketoneorganooxygen compoundaromatic monoterpenoidaryl ketone |
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