| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:17 UTC |
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| Update Date | 2025-03-25 00:56:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218174 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H19ClN2 |
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| Molecular Mass | 334.1237 |
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| SMILES | N#Cc1ccc2c(c1)CCc1cc(Cl)ccc1C2=C1CCNCC1 |
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| InChI Key | PHRNZRVYAMTMSQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | dibenzocycloheptenes |
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| Subclass | dibenzocycloheptenes |
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| Direct Parent | dibenzocycloheptenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundsdialkylamineshydrocarbon derivativesnitrilesorganochloridesorganopnictogen compoundspiperidines |
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| Substituents | aryl chloridesecondary aliphatic aminenitrileazacycleorganochloridesecondary amineorganohalogen compounddibenzocycloheptenearyl halidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpiperidinecarbonitrileorganoheterocyclic compoundamine |
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