| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:57 UTC |
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| Update Date | 2025-03-25 00:52:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194245 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12ClNO4S |
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| Molecular Mass | 265.0176 |
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| SMILES | CN(C)Cc1ccc(OS(=O)(=O)O)c(Cl)c1 |
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| InChI Key | KSASJNVJCNUJMN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | phenylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aralkylaminesaryl chloridesbenzylamineschlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundsphenoxy compoundsphenylmethylaminessulfuric acid monoesterstrialkylamines |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterorganochlorideorganohalogen compoundaralkylaminephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundtertiary aminearyl chloridechlorobenzenetertiary aliphatic aminearyl halidearomatic homomonocyclic compoundphenylmethylamineorganic oxygen compoundbenzylaminesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compoundsulfuric acid esteramineorganooxygen compound |
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