| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:58 UTC |
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| Update Date | 2025-03-21 18:00:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00026596 |
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| Frequency | 143.6 |
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| Structure | |
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| Chemical Formula | C11H15NO2 |
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| Molecular Mass | 193.1103 |
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| SMILES | CNC(Cc1ccccc1)C(=O)OC |
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| InChI Key | VJXKYPIBDBDIJL-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 acid estersalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundsdialkylaminesfatty acid estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compounds |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl grouporganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativessecondary aliphatic aminealpha-amino acid estersecondary aminearomatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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