| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:18 UTC |
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| Update Date | 2025-03-21 18:04:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051179 |
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| Frequency | 63.9 |
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| Structure | |
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| Chemical Formula | C15H16N2O6 |
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| Molecular Mass | 320.1008 |
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| SMILES | COc1ccc2[nH]cc(CC(=O)NC(CC(=O)O)C(=O)O)c2c1 |
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| InChI Key | SMPJICQGQTWDBN-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidindolealkyl aryl etherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundanisolepyrroleaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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