| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:28 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 | DMID02234382 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18NO5+ |
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| Molecular Mass | 268.1179 |
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| SMILES | C[N+]1(C)CC(O)c2cc(O)c(O)cc2CC1C(=O)O |
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| InChI Key | LWJISXYBJXLJDG-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzazepines |
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| Subclass | benzazepines |
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| Direct Parent | benzazepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-aminoalcohols1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsaminesazacyclic compoundsazepinesbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary alcoholstetraalkylammonium salts |
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| Substituents | carbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltalcoholtetraalkylammonium saltazacycle1,2-aminoalcoholquaternary ammonium saltmonocarboxylic acid or derivativesorganic oxygen compoundazepinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundbenzazepineamineorganooxygen compound |
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