| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:39 UTC |
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| Update Date | 2025-03-21 18:31:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087590 |
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| Frequency | 32.5 |
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| Structure | |
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| Chemical Formula | C16H16ClN |
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| Molecular Mass | 257.0971 |
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| SMILES | Clc1ccc2c(c1)C(Cc1ccccc1)NCC2 |
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| InChI Key | QBPBFTOVAYMCQA-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 | aryl chloridesazacyclic compoundsbenzene and substituted derivativesdialkylamineshydrocarbon derivativesorganochloridesorganopnictogen compoundstetrahydroisoquinolines |
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| Substituents | aryl chloridesecondary aliphatic aminemonocyclic benzene moietyazacycleorganochloridesecondary amineorganohalogen compoundbenzylisoquinolinearyl halidearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamine |
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