| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:14 UTC |
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| Update Date | 2025-03-21 18:02:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036739 |
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| Frequency | 96.1 |
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| Structure | |
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| Chemical Formula | C9H10N2O4 |
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| Molecular Mass | 210.0641 |
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| SMILES | O=C(O)C1CNc2cc(O)c(O)cc2N1 |
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| InChI Key | XLVXJEDPMXWHMK-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 | 1-hydroxy-2-unsubstituted benzenoidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidazacycleamino acid1-hydroxy-2-unsubstituted benzenoidsecondary aminesecondary aliphatic/aromatic amineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganoheterocyclic compoundorganooxygen compound |
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