| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:04 UTC |
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| Update Date | 2025-03-21 18:05:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055193 |
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| Frequency | 58.1 |
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| Structure | |
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| Chemical Formula | C13H14N2O5 |
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| Molecular Mass | 278.0903 |
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| SMILES | O=C(O)C(O)NC(Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | XXKGHPRIGULEHX-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 | alkanolaminesalpha hydroxy acids and derivativesamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidamino acidindolealpha-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalkanolaminesecondary aliphatic amineazacycleheteroaromatic compoundindole or derivativeshydroxy acidsecondary amineorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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