| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:17 UTC |
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| Update Date | 2025-03-21 18:38:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123007 |
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| Frequency | 30.7 |
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| Structure | |
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| Chemical Formula | C12H14N2O4 |
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| Molecular Mass | 250.0954 |
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| SMILES | Nc1ccccc1C(=O)CCC(=O)NCC(=O)O |
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| InChI Key | LKRKEQMTHUCUCP-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 acidsamino acidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganopnictogen compoundsprimary aminessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketoneamino acidfatty amidebenzoylketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundvinylogous amidecarboxamide groupn-acyl-aminen-acylglycinephenylketonebutyrophenonearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketoneorganooxygen compoundaryl ketone |
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