| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:23 UTC |
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| Update Date | 2025-03-21 18:29:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00075067 |
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| Frequency | 39.4 |
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| Structure | |
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| Chemical Formula | C12H15N3O5 |
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| Molecular Mass | 281.1012 |
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| SMILES | N=C(Nc1ccc(O)cc1)NC(CCC(=O)O)C(=O)O |
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| InChI Key | NPYLRBAHWLTJAW-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 homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesguanidineshydrocarbon derivativesiminesorganic oxidesorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidguanidineimine1-hydroxy-2-unsubstituted benzenoidglutamic acid or derivativescarboximidamidearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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