| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:58 UTC |
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| Update Date | 2025-03-21 18:39:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124561 |
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| Frequency | 20.6 |
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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(Cc1ccccc1)C(=O)NC(CC(O)C(=O)O)C(=O)O |
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| InChI Key | GGUNAOZJDHTTHV-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 | dipeptides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsalpha hydroxy acids and derivativesamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty amidesglutamic acid and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acidfatty amidealpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesalcoholalpha-amino acid amiden-acyl-alpha-amino acidglutamic acid or derivativeshydroxy acidcarboxamide grouparomatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amidephenylalanine or derivativesorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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