| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:45 UTC |
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| Update Date | 2025-03-25 00:53:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198364 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16NO4+ |
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| Molecular Mass | 250.1074 |
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| SMILES | C[N+]1(C)CCc2cc3c(cc2C1C(=O)O)OCO3 |
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| InChI Key | BUGLMTBBYZKPBZ-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 | tetrahydroisoquinolines |
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| Subclass | tetrahydroisoquinolines |
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| Direct Parent | tetrahydroisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsalpha amino acidsaralkylaminesazacyclic compoundsbenzenoidsbenzodioxolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsoxacyclic compoundstetraalkylammonium salts |
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| Substituents | carbonyl groupcarboxylic acidalpha-amino acid or derivativescarboxylic acid derivativearalkylamineorganic oxideacetalaromatic heteropolycyclic compoundalpha-amino acidorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundorganic cationorganic saltbenzodioxoletetraalkylammonium saltazacyclequaternary ammonium saltoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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