| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:19 UTC |
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| Update Date | 2025-03-21 18:35:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106192 |
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| Frequency | 25.4 |
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| Structure | |
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| Chemical Formula | C16H18ClN3O5 |
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| Molecular Mass | 367.0935 |
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| SMILES | NC(CCC(=O)NC(Cc1c[nH]c2ccc(Cl)cc12)C(=O)O)C(=O)O |
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| InChI Key | MGHHVVRCMCQNKF-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 heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsaryl chloridesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglutamine and derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidglutamine or derivativesindoleorganochloridefatty amidealpha-amino acid or derivativesorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesaryl chlorideazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupn-acyl-aminearyl halidealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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