| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:04 UTC |
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| Update Date | 2025-03-25 00:47:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162600 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H12N4O4 |
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| Molecular Mass | 300.0859 |
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| SMILES | O=C(O)CC(Nc1ncnc2[nH]c3ccccc3c12)C(=O)O |
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| InChI Key | HWHCSULVACCBNG-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsindolesorganic oxidesorganopnictogen compoundspyrimidines and pyrimidine derivativespyrrolespyrrolo[2,3-d]pyrimidinessecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acidindolepyrimidinepyrrolopyrimidineorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativessecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundpyrroleaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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