Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:18:04 UTC |
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Update Date | 2025-03-21 18:35:25 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105597 |
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Frequency | 25.6 |
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Structure | |
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Chemical Formula | C9H9NO4 |
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Molecular Mass | 195.0532 |
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SMILES | O=C(O)CN=Cc1cc(O)ccc1O |
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InChI Key | VGXHYWZVJGSLBY-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 benzenoidsaldiminesbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroquinonesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidimine1-hydroxy-2-unsubstituted benzenoidorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundhydroquinonearomatic homomonocyclic compoundaldimineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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