| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:50 UTC |
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| Update Date | 2025-03-25 00:45:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150762 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H14N4O6 |
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| Molecular Mass | 346.0913 |
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| SMILES | O=C(O)CC(NC(=O)c1cnc(Nc2ccc(O)cc2)nc1)C(=O)O |
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| InChI Key | DEEPXKQUECAYEL-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundspyrimidinecarboxylic acids and derivativessecondary aminessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid1-hydroxy-2-unsubstituted benzenoidpyrimidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compoundpyrimidine-5-carboxylic acid or derivativessecondary aminecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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