| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:14 UTC |
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| Update Date | 2025-03-25 00:45:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149304 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H21NO2 |
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| Molecular Mass | 295.1572 |
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| SMILES | CN1CC(Cc2ccccc2)c2ccccc2C1CC(=O)O |
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| InChI Key | PQGFPKOJKAJRNW-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 | isoquinolines and derivatives |
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| Subclass | benzylisoquinolines |
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| Direct Parent | benzylisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsaralkylaminesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundstetrahydroisoquinolinestrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativearalkylamineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundtertiary amineazacycletertiary aliphatic aminebenzylisoquinolinemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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