| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:08 UTC |
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| Update Date | 2025-03-25 00:55:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213280 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14N2O3 |
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| Molecular Mass | 234.1004 |
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| SMILES | CN1Cc2ccccc2C1C(=O)NCC(=O)O |
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| InChI Key | FGIOYHIOCDEJNR-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 acid amidesalpha amino acidsamino acidsaralkylaminesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdipeptideshydrocarbon derivativesisoindolesisoindolinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidestrialkylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acidaralkylamineorganic oxideisoindolinearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary amineorganoheterocyclic compoundalpha-amino acid amideazacycleisoindoletertiary aliphatic aminecarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundisoindole or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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