| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:48 UTC |
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| Update Date | 2025-03-25 00:58:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230529 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17NO4 |
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| Molecular Mass | 263.1158 |
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| SMILES | CN1CCc2cc3c(cc2C1CCC(=O)O)OCO3 |
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| InChI Key | SUJUBSDJOGVMDX-UHFFFAOYSA-N |
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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 | acetalsamino acidsaralkylaminesazacyclic compoundsbenzenoidsbenzodioxolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundstrialkylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativearalkylamineorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundtertiary aminebenzodioxoleazacycletertiary aliphatic amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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