| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:13 UTC |
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| Update Date | 2025-03-25 00:56:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220382 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17N2O3+ |
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| Molecular Mass | 237.1234 |
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| SMILES | C[N+](C)(C)C1Cc2cc(O)c(O)cc2NC1=O |
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| InChI Key | IGQOPKICPLIEFE-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 acidsaminesaminoquinolines and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeshydroquinolineshydroquinoloneslactamsorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary carboxylic acid amidestetraalkylammonium salts |
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| Substituents | carbonyl grouplactam1-hydroxy-2-unsubstituted benzenoidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic salttetrahydroquinolineorganoheterocyclic compoundquinolonetetrahydroquinolonealpha-amino acid amidetetraalkylammonium saltazacyclequaternary ammonium saltcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundaminoquinolinehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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