| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:28 UTC |
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| Update Date | 2025-03-25 00:47:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161211 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16N2O5 |
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| Molecular Mass | 292.1059 |
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| SMILES | NC(Cc1ccc(OC2CCC(=O)NC2=O)cc1)C(=O)O |
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| InChI Key | HCHGRWIRAJISAK-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsamphetamines and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdelta lactamsdicarboximideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-unsubstituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acidspiperidinediones |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidalkyl aryl ethercarboxylic acid imide, n-unsubstitutedorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinedionepiperidinonedicarboximidepiperidineorganoheterocyclic compoundamphetamine or derivativesazacyclecarboxylic acid imidedelta-lactammonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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