Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:39:51 UTC |
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Update Date | 2025-03-25 00:46:29 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02155509 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C12H12N2O3 |
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Molecular Mass | 232.0848 |
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SMILES | Cc1ccc2c(C(=O)NCC(=O)O)c[nH]c2c1 |
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InChI Key | KFFQODGROWRINK-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 | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolecarboxamides and derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxamidessecondary carboxylic acid amidesvinylogous amides |
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Substituents | carbonyl groupindolecarboxamide derivativecarboxylic acidpyrrole-3-carboxylic acid or derivativesindoleorganic 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 compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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