| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:04 UTC |
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| Update Date | 2025-03-25 00:53:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201417 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18NO4+ |
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| Molecular Mass | 252.123 |
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| SMILES | COc1cc2c(cc1OC)C(C(=O)O)[N+](C)(C)C2 |
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| InChI Key | CIXUFNJNQSZXBP-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | bicyclic amino acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsanisolesaralkylaminesazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesisoindolesisoindolinesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | bicyclic amino acidphenol ethercarbonyl groupethercarboxylic acidalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativearalkylamineorganic oxideisoindolinearomatic heteropolycyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundtetraalkylammonium saltazacycleisoindolequaternary ammonium saltmonocarboxylic acid or derivativesanisoleisoindole or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamine |
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