| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:59 UTC |
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| Update Date | 2025-03-21 18:40:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131773 |
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| Frequency | 19.2 |
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| Structure | |
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| Chemical Formula | C12H12N2O4 |
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| Molecular Mass | 248.0797 |
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| SMILES | COc1ccc2[nH]cc(C(=O)NCC(=O)O)c2c1 |
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| InChI Key | OZTCSVVZPQEDLJ-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolecarboxamides and derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxamidessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | phenol ethercarbonyl groupetherindolecarboxamide derivativecarboxylic acidpyrrole-3-carboxylic acid or derivativesindolealkyl aryl etherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundpyrrole-3-carboxamidealpha-amino acidorganopnictogen compoundorganoheterocyclic compoundindolecarboxylic acid derivativevinylogous amideazacycleheteroaromatic compoundindole or derivativescarboxamide groupn-acylglycinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundanisolepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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