| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:38 UTC |
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| Update Date | 2025-03-21 18:03:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042439 |
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| Frequency | 80.5 |
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| Structure | |
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| Chemical Formula | C12H17NO3 |
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| Molecular Mass | 223.1208 |
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| SMILES | COc1cc2c(cc1O)C(CO)N(C)CC2 |
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| InChI Key | PGHHKZLRKIHXEW-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 | 1,2-aminoalcohols1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesaralkylaminesazacyclic compoundshydrocarbon derivativesorganopnictogen compoundsprimary alcoholstrialkylamines |
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| Substituents | alcoholphenol etheretherazacycle1,2-aminoalcoholtertiary aliphatic amine1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheraralkylamineorganic oxygen compoundaromatic heteropolycyclic compoundanisoleorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundprimary alcoholaminetertiary amineorganooxygen compound |
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