| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:16 UTC |
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| Update Date | 2025-03-25 00:46:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154121 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O4 |
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| Molecular Mass | 264.111 |
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| SMILES | CC(=O)NC(=NC(C)C(=O)O)C(O)c1ccccc1 |
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| InChI Key | DPMVCXMUKZWFPD-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 | alanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsaromatic alcoholsbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidealcoholorganic 1,3-dipolar compoundcarboximidamidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholalanine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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