| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:51 UTC |
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| Update Date | 2025-03-25 00:53:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198612 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H22N2O7 |
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| Molecular Mass | 366.1427 |
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| SMILES | COc1ccc(CC(NC(C)=O)C(=O)NC(CCC(=O)O)C(=O)O)cc1 |
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| InChI Key | WYFQWTKWTATVMW-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 | acetamidesalkyl aryl ethersalpha amino acid amidesalpha amino acidsanisolescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty amidesglutamic acid and derivativeshydrocarbon derivativesmethoxybenzenesmethoxylated amphetaminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylalanine and derivativessecondary carboxylic acid amides |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidfatty amidealpha-amino acid or derivativesalkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesacetamiden-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidmethoxylated amphetamineglutamic acid or derivativescarboxamide groupmethoxybenzenen-substituted-alpha-amino acidaromatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amidephenylalanine or derivativesorganic oxygen compoundanisoledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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