| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:50 UTC |
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| Update Date | 2025-03-25 00:52:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193994 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20N2O2 |
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| Molecular Mass | 284.1525 |
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| SMILES | CN1CCc2c(O)ccc(N)c2C1Cc1ccc(O)cc1 |
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| InChI Key | NXBSNXJQPMKFGD-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 | isoquinolines and derivatives |
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| Subclass | benzylisoquinolines |
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| Direct Parent | benzylisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaralkylaminesazacyclic compoundsbenzene and substituted derivativeshydrocarbon derivativesorganooxygen compoundsorganopnictogen compoundsprimary aminestetrahydroisoquinolinestrialkylamines |
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| Substituents | monocyclic benzene moietyazacycletertiary aliphatic amine1-hydroxy-2-unsubstituted benzenoidbenzylisoquinolinearalkylamineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundphenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminetertiary amineorganooxygen compound |
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