| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:15 UTC |
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| Update Date | 2025-03-25 00:56:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218085 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H19NO4S |
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| Molecular Mass | 333.1035 |
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| SMILES | CNC1CCC(c2ccc(OS(=O)(=O)O)cc2)c2ccccc21 |
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| InChI Key | NCVPNFYBGKZULI-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 | tetralins |
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| Subclass | tametralines |
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| Direct Parent | tametralines |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | dialkylamineshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | secondary aliphatic aminemonocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivativesaromatic homopolycyclic compoundsecondary aminetametralinephenylsulfateorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfateorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compoundamine |
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