| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:56 UTC |
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| Update Date | 2025-03-21 18:04:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048018 |
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| Frequency | 69.2 |
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| Structure | |
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| Chemical Formula | C13H17NO4 |
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| Molecular Mass | 251.1158 |
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| SMILES | CC(NC(CCc1ccccc1)C(=O)O)C(=O)O |
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| InChI Key | ULHDMLUUUQSHMK-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 | alanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compounds |
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| Substituents | secondary aliphatic aminemonocyclic benzene moietycarbonyl groupcarboxylic acidamino acidsecondary aminearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundalanine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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