| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:35 UTC |
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| Update Date | 2025-03-25 00:58:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02232358 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N2O4 |
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| Molecular Mass | 266.1267 |
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| SMILES | CCC(Nc1ccc(CC(N)C(=O)O)cc1)C(=O)O |
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| InChI Key | JPWUHUBIPUNCCP-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 acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundsphenylalkylaminesphenylpropanoic acidssecondary alkylarylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativessecondary aminesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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