| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:57 UTC |
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| Update Date | 2025-03-21 18:05:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054943 |
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| Frequency | 58.4 |
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| Structure | |
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| Chemical Formula | C16H17NO4 |
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| Molecular Mass | 287.1158 |
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| SMILES | CN1CCc2cc(O)c(O)cc2C1c1ccc(O)c(O)c1 |
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| InChI Key | FDMSBDVJICPAPA-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 | 1-phenyltetrahydroisoquinolines |
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| Direct Parent | 1-phenyltetrahydroisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaralkylaminesazacyclic compoundsbenzene and substituted derivativeshydrocarbon derivativesorganooxygen compoundsorganopnictogen compoundstrialkylamines |
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| Substituents | monocyclic benzene moietyazacycletertiary aliphatic amine1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidaralkylamine1-phenyltetrahydroisoquinolineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundaminetertiary amineorganooxygen compound |
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