| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:07 UTC |
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| Update Date | 2025-03-21 17:56:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00004150 |
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| Frequency | 1383.9 |
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| Structure | |
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| Chemical Formula | C12H15NO3 |
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| Molecular Mass | 221.1052 |
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| SMILES | COC(=O)C(Cc1ccccc1)NC(C)=O |
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| InChI Key | IKGHIFGXPVLPFD-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 | acetamidesalpha amino acid estersalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundsfatty acid estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl grouporganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamideamphetamine or derivativesn-acyl-alpha amino acid or derivativesalpha-amino acid estern-acyl-alpha-amino acidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidefatty acid estermonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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