| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:19 UTC |
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| Update Date | 2025-03-25 00:48:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167747 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H26N2O7 |
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| Molecular Mass | 394.174 |
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| SMILES | CC(C)NCC(O)COc1ccc(C=CC(=O)NC(CC(=O)O)C(=O)O)cc1 |
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| InChI Key | MFJATGMAIYYTEF-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 | alkyl aryl ethersalpha amino acidsamino acidscarbonyl compoundscarboxylic acidscinnamic acids and derivativesdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidamino acidalkyl aryl ethercinnamic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalcoholsecondary aliphatic aminen-acyl-alpha-amino acidsecondary aminecarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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