| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:53 UTC |
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| Update Date | 2025-03-25 00:53:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203263 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12N2O5 |
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| Molecular Mass | 264.0746 |
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| SMILES | O=C(O)CC1Nc2ccccc2N(CC(=O)O)C1=O |
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| InChI Key | LQBXZRDZEIORKY-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 | dipeptides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundssecondary alkylarylaminestertiary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacyclesecondary aminecarboxamide groupsecondary aliphatic/aromatic aminealpha-dipeptideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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