| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:40 UTC |
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| Update Date | 2025-03-21 18:34:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099678 |
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| Frequency | 27.5 |
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| Structure | |
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| Chemical Formula | C14H15NO5 |
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| Molecular Mass | 277.095 |
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| SMILES | CCC(=O)NC(OC(=O)C=Cc1ccccc1)C(=O)O |
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| InChI Key | VIRDHTDVFBTVBG-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidscinnamic acids and derivativesdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundenoate estern-acyl-alpha-amino acidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidefatty acid esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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