| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:53 UTC |
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| Update Date | 2025-03-21 18:40:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129183 |
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| Frequency | 19.7 |
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| Structure | |
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| Chemical Formula | C16H19N3O5 |
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| Molecular Mass | 333.1325 |
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| SMILES | COC(=O)C(CC(=O)O)NC(=O)C(N)Cc1c[nH]c2ccccc12 |
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| InChI Key | QQELPHFJTDFBAC-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 | peptides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acid estersalpha amino acidsaspartic acid and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acid estersfatty amidesheteroaromatic compoundshydrocarbon derivativesindolesmethyl estersmonoalkylaminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidindolefatty amidealpha-amino acid or derivativesalpha peptideorganic oxidemethyl esteraromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amidealpha-amino acid esterazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupsecondary carboxylic acid amidefatty acid esterorganic oxygen compoundcarboxylic acid esterpyrroleaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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