| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:47 UTC |
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| Update Date | 2025-03-25 01:01:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248871 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO4 |
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| Molecular Mass | 251.1158 |
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| SMILES | COc1cc2c(cc1O)CCNC2CCC(=O)O |
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| InChI Key | HNDANMMLGWPKTB-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 ethersamino 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 benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundsecondary aliphatic amineazacyclesecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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