| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:22 UTC |
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| Update Date | 2025-03-25 00:50:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179347 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12ClNS |
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| Molecular Mass | 201.0379 |
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| SMILES | CSCCNc1ccc(Cl)cc1 |
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| InChI Key | PKPWYYVKYAHVOX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | phenylalkylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl chlorideschlorobenzenesdialkylthioethershydrocarbon derivativesorganochloridesorganopnictogen compoundssecondary alkylarylaminessulfenyl compounds |
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| Substituents | aryl chloridechlorobenzenemonocyclic benzene moietysulfenyl compounddialkylthioetherorganochloridesecondary amineorganosulfur compoundorganohalogen compoundsecondary aliphatic/aromatic aminearyl halidearomatic homomonocyclic compoundthioetherorganopnictogen compoundphenylalkylaminehydrocarbon derivativebenzenoidhalobenzene |
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