| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:58 UTC |
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| Update Date | 2025-03-25 00:56:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217454 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO3 |
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| Molecular Mass | 221.1052 |
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| SMILES | CC1c2ccc(O)cc2CC(C(=O)O)N1C |
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| InChI Key | UDTQYPMPXTZIKS-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 | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamino acidsaralkylaminesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundstrialkylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acid1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativearalkylamineorganic oxidearomatic heteropolycyclic compoundalpha-amino acidorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundtertiary amineazacycletertiary aliphatic aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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