| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:06 UTC |
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| Update Date | 2025-03-21 18:28:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00071959 |
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| Frequency | 41.6 |
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| Structure | |
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| Chemical Formula | C14H16N2O6 |
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| Molecular Mass | 308.1008 |
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| SMILES | COc1ccc(NC=O)c(C(=O)CC(NC(C)=O)C(=O)O)c1 |
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| InChI Key | QGRDOBYILCRXGL-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 | acetamidesalkyl aryl ethersalkyl-phenylketonesalpha amino acidsanilidesanisolesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaryl alkyl ketonebenzoyln-arylamidealkyl aryl etherketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidevinylogous amiden-acyl-alpha-amino acidcarboxamide groupmethoxybenzenephenylketonegamma-keto acidbutyrophenonearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundanisoleketo acidhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundalkyl-phenylketoneorganooxygen compoundaryl ketone |
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