| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:27 UTC |
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| Update Date | 2025-03-25 00:45:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152178 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H20N2O5 |
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| Molecular Mass | 296.1372 |
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| SMILES | NC(CCc1cccc(CO)c1CC(N)C(=O)O)C(=O)O |
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| InChI Key | SEWZJFBXRNMQCX-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 acidsamphetamines and derivativesaromatic alcoholsbenzyl alcoholscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acids |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidbenzyl alcoholaromatic homomonocyclic compoundorganic oxidephenylalanine or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamphetamine or derivatives |
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