| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:29 UTC |
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| Update Date | 2025-03-25 00:59:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234412 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13N2O2+ |
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| Molecular Mass | 193.0972 |
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| SMILES | C[N+]1(C)CC(=O)Nc2ccc(O)cc21 |
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| InChI Key | NWBNIYMHFGCNFE-UHFFFAOYSA-O |
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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 benzenoidsalpha amino acidsaminesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsquaternary ammonium saltssecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactam1-hydroxy-2-unsubstituted benzenoidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundalpha-amino acid amideazacyclequaternary ammonium saltcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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