| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:24 UTC |
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| Update Date | 2025-03-25 00:45:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152053 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18N2O6 |
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| Molecular Mass | 310.1165 |
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| SMILES | NC(CC(O)c1ccccc1)C(O)=NC(CC(=O)O)C(=O)O |
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| InChI Key | MFLXZVLGVCZWNN-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaromatic alcoholsbenzene and substituted derivativescarbonyl compoundscarboximidic acidscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | aromatic alcoholcarboximidic acidmonocyclic benzene moietycarbonyl groupcarboxylic acidpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholorganic 1,3-dipolar compoundaromatic homomonocyclic compoundorganic oxygen compoundaspartic acid or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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