| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:12 UTC |
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| Update Date | 2025-03-25 00:49:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172051 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H17ClN2 |
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| Molecular Mass | 260.108 |
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| SMILES | CNC(C)C(c1ccc(Cl)cc1)c1ccccn1 |
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| InChI Key | NKUFFULFBQYNBX-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 | benzene and substituted derivatives |
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| Subclass | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl chloridesazacyclic compoundschlorobenzenesdialkylaminesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganochloridesorganopnictogen compounds |
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| Substituents | aryl chloridechlorobenzenesecondary aliphatic aminearomatic heteromonocyclic compoundazacycleorganochlorideheteroaromatic compoundmethylpyridinesecondary amineorganohalogen compoundaryl halidephenylpropanepyridineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundhalobenzeneorganoheterocyclic compoundamine |
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