| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:10 UTC |
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| Update Date | 2025-03-25 00:58:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231380 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H21N3O3 |
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| Molecular Mass | 291.1583 |
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| SMILES | CC1C(=O)Nc2ccccc2N1CCCCC(N)C(=O)O |
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| InChI Key | JOHRUFPPOUNFCI-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 | alpha amino acid amides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsamino fatty acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylarylaminesheterocyclic fatty acidshydrocarbon derivativeslactamsmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidamino acidheterocyclic fatty acidfatty acidorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty aciddialkylarylaminetertiary amineorganoheterocyclic compoundalpha-amino acid amideazacyclecarboxamide groupamino fatty acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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