| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:51 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 | DMID02193999 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H17Cl2NO2 |
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| Molecular Mass | 337.0636 |
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| SMILES | CN1CCc2cc(O)c(O)cc2C1Cc1ccc(Cl)c(Cl)c1 |
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| InChI Key | WHGNWPSXJCAGNL-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 benzenoidsaralkylaminesaryl chloridesazacyclic compoundsdichlorobenzeneshydrocarbon derivativesorganochloridesorganooxygen compoundsorganopnictogen compoundstetrahydroisoquinolinestrialkylamines |
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| Substituents | monocyclic benzene moietyorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundaralkylaminearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compound1,2-dichlorobenzenetertiary aminearyl chloridechlorobenzeneazacycletertiary aliphatic aminebenzylisoquinolinearyl halideorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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