| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:26 UTC |
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| Update Date | 2025-03-25 00:57:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223188 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13N3O |
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| Molecular Mass | 191.1059 |
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| SMILES | NCC(=O)N1CCNc2ccccc21 |
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| InChI Key | WNDZJTNCKKXPCG-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 oxidesorganopnictogen compoundssecondary alkylarylaminestertiary carboxylic acid amides |
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| Substituents | carbonyl groupalpha-amino acid amideazacyclesecondary aminecarboxamide groupsecondary aliphatic/aromatic amineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganoheterocyclic compoundorganooxygen compound |
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