| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:26 UTC |
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| Update Date | 2025-03-21 18:06:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063156 |
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| Frequency | 48.9 |
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| Structure | |
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| Chemical Formula | C16H21N3O2 |
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| Molecular Mass | 287.1634 |
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| SMILES | CCC(C)C(N)C(=O)NC(=O)Cc1c[nH]c2ccccc12 |
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| InChI Key | BOXWTYOMLAGVQY-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 | isoleucine and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesdicarboximidesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesn-acyl aminesn-unsubstituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupindolecarboxylic acid imide, n-unsubstitutedorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddicarboximideisoleucine or derivativesorganoheterocyclic compoundalpha-amino acid amideazacycleheteroaromatic compoundindole or derivativesn-acyl-aminecarboxylic acid imideorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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