| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:13 UTC |
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| Update Date | 2025-03-25 00:49:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172099 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H24N2O3 |
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| Molecular Mass | 292.1787 |
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| SMILES | CN1CCC(COc2ccc(CC(N)C(=O)O)cc2)CC1 |
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| InChI Key | KVEGFRBSEDRBLV-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 acidsamino acidsamphetamines and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acidspiperidinestrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidamino acidalkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundamphetamine or derivativesazacycletertiary aliphatic aminemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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