| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:41 UTC |
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| Update Date | 2025-03-21 17:59:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00021334 |
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| Frequency | 187.9 |
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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 | COC(=O)C(Cc1ccccc1)NC(C)C(=O)O |
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| InChI Key | RZMXVCJQDSLRSR-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 | alanine and derivativesalpha amino acid estersalpha amino acidsamino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmethyl estersorganic oxidesorganopnictogen compounds |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acidorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativessecondary aliphatic aminealpha-amino acid estersecondary aminearomatic homomonocyclic compoundfatty acid esterphenylalanine or derivativesorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesalanine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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