| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:13 UTC |
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| Update Date | 2025-03-25 00:45:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149264 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13NO4 |
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| Molecular Mass | 187.0845 |
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| SMILES | CC(O)CC=CC=NC(O)C(=O)O |
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| InChI Key | HXSYZWZCXYXIOB-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 | aliphatic acyclic compounds |
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| Alternative Parents | aldiminesalkanolaminesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidiminealpha-hydroxy acidorganic 1,3-dipolar compoundhydroxy acidpropargyl-type 1,3-dipolar organic compoundaldimineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundalkanolamine |
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