| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:38 UTC |
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| Update Date | 2025-03-21 18:01:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030460 |
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| Frequency | 122.1 |
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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 | NCCC(=O)NC(OC(=O)Cc1ccccc1)C(=O)O |
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| InChI Key | CBBZRIRLTZHBBP-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 acidsbenzene and substituted derivativesbeta amino acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidalpha-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 compoundcarboxylic acid esterdicarboxylic acid or derivativeshybrid peptidehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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