| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:31 UTC |
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| Update Date | 2025-03-21 18:31:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087295 |
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| Frequency | 32.6 |
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| Structure | |
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| Chemical Formula | C13H14N2O4 |
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| Molecular Mass | 262.0954 |
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| SMILES | COc1ccc2[nH]cc(C(=O)CC(N)C(=O)O)c2c1 |
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| InChI Key | SHVYQYPBDLTOBG-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaryl alkyl ketonesazacyclic compoundscarboxylic acidsgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolesvinylogous amides |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidaryl alkyl ketoneindolealkyl aryl etherketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundindole or derivativesgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundanisoleketo acidpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaryl ketone |
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