| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:38 UTC |
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| Update Date | 2025-03-21 18:31:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087553 |
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| Frequency | 32.5 |
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| Structure | |
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| Chemical Formula | C15H21NO4 |
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| Molecular Mass | 279.1471 |
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| SMILES | CCCCC(NC(Cc1ccccc1)C(=O)O)C(=O)O |
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| InChI Key | QCGOKCDSEKMNNH-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 homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsamino fatty acidsamphetamines and derivativesbenzene and substituted derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsorganic oxidesorganopnictogen compoundsphenylpropanoic acids |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acidfatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidamphetamine or derivativessecondary aliphatic aminesecondary amineamino fatty acidaromatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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