| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:31 UTC |
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| Update Date | 2025-03-21 18:02:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00039756 |
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| Frequency | 87.3 |
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| Structure | |
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| Chemical Formula | C12H15NO5 |
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| Molecular Mass | 253.095 |
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| SMILES | CC(Oc1ccc(CC(N)C(=O)O)cc1)C(=O)O |
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| InChI Key | SKSGMMMRWUGNCU-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 | 2-phenoxypropionic acidsalkyl aryl ethersalpha amino acidsamphetamines and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenoxyacetic acid derivativesphenylpropanoic acids |
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| Substituents | phenol ethermonocyclic benzene moietyphenoxyacetatecarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivatives2-phenoxypropionic acidaromatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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