| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:12 UTC |
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| Update Date | 2025-03-25 01:00:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245241 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H21NO7S |
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| Molecular Mass | 347.1039 |
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| SMILES | CN1CCC(Cc2cc(O)c(O)c(OCOS(=O)(=O)O)c2)CC1 |
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| InChI Key | CHABPWNBZCWSAF-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 | piperidines |
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| Subclass | benzylpiperidines |
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| Direct Parent | 4-benzylpiperidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesazacyclic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundssulfuric acid monoesterstrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesteraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidorganic oxidealkyl sulfateorganonitrogen compoundorganopnictogen compound4-benzylpiperidinetertiary amineorganic sulfuric acid or derivativesazacycletertiary aliphatic amine1-hydroxy-4-unsubstituted benzenoidorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esteramineorganooxygen compound |
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