| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:53 UTC |
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| Update Date | 2025-03-25 00:47:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164427 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19N3O2 |
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| Molecular Mass | 261.1477 |
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| SMILES | CC(N)C(=O)NCCCc1c[nH]c2ccc(O)cc12 |
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| InChI Key | GZUPYCJMLYHBIV-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 | 1-hydroxy-2-unsubstituted benzenoidsalanine and derivativesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | carbonyl groupindole1-hydroxy-2-unsubstituted benzenoidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalpha-amino acid amideazacycleheteroaromatic compoundindole or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolealanine or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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