| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:05 UTC |
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| Update Date | 2025-03-21 18:32:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00090971 |
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| Frequency | 30.9 |
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| Structure | |
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| Chemical Formula | C12H16N2O2 |
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| Molecular Mass | 220.1212 |
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| SMILES | NC(CO)C(=O)N1CCc2ccccc2C1 |
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| InChI Key | PEQTYSUABAXTML-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 acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholstertiary carboxylic acid amidestetrahydroisoquinolines |
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| Substituents | alcoholcarbonyl groupalpha-amino acid amideazacyclecarboxamide grouporganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundtetrahydroisoquinolinealpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundprimary alcoholorganoheterocyclic compoundorganooxygen compound |
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