| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:33 UTC |
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| Update Date | 2025-03-21 18:33:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094533 |
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| Frequency | 29.4 |
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| Structure | |
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| Chemical Formula | C8H9NO5 |
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| Molecular Mass | 199.0481 |
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| SMILES | NC(C(=O)O)c1cc(O)c(O)c(O)c1 |
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| InChI Key | QQNNBCKCTFTQHF-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 homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrogallols and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidpyrogallol derivativebenzenetriol1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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