| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:35 UTC |
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| Update Date | 2025-03-21 18:38:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119024 |
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| Frequency | 21.9 |
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| Structure | |
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| Chemical Formula | C13H16N2O5 |
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| Molecular Mass | 280.1059 |
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| SMILES | NC(CC(=O)NC(CC(=O)O)C(=O)O)c1ccccc1 |
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| InChI Key | RZCDINKZTYFCSG-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 | peptidomimetics |
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| Subclass | hybrid peptides |
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| Direct Parent | hybrid peptides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaspartic acid and derivativesbenzene and substituted derivativesbeta amino acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty amideshydrocarbon derivativesmonoalkylaminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidfatty amidealpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidcarboxamide groupbeta amino acid or derivativesaromatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshybrid peptidehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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