| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:42 UTC |
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| Update Date | 2025-03-25 00:56:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221470 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13N3O5 |
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| Molecular Mass | 279.0855 |
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| SMILES | O=C(O)CCC(Nc1nc2ccc(O)cc2[nH]1)C(=O)O |
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| InChI Key | QQYDBERGUKSEKE-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamino acidsazacyclic compoundsbenzenoidsbenzimidazolescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganopnictogen compoundssecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acid1-hydroxy-2-unsubstituted benzenoidorganic oxidearomatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazoleazacycleheteroaromatic compoundglutamic acid or derivativessecondary aminesecondary aliphatic/aromatic amineorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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