| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:48 UTC |
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| Update Date | 2025-03-21 18:36:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112286 |
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| Frequency | 23.6 |
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| Structure | |
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| Chemical Formula | C11H13NO4 |
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| Molecular Mass | 223.0845 |
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| SMILES | COc1cc2c(cc1O)C(C(=O)O)NCC2 |
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| InChI Key | NRXWFXNGHNFXRF-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 benzenoidsalkyl aryl ethersalpha amino acidsamino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compounds |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidamino acid or derivativesamino acid1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolinealpha-amino acidorganopnictogen compoundsecondary aliphatic amineazacyclesecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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