| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:34 UTC |
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| Update Date | 2025-03-25 00:48:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168337 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H23N3O2 |
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| Molecular Mass | 289.179 |
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| SMILES | CC(C)C(N)C(O)C(=O)NCCc1c[nH]c2ccccc12 |
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| InChI Key | BYWYGVQFIZXWKH-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonosaccharidesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupindolefatty amidemonosaccharidesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundindole or derivativescarboxamide groupn-acyl-aminebeta amino acid or derivativessecondary carboxylic acid amideorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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