| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:19 UTC |
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| Update Date | 2025-03-25 00:58:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234003 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17NO4S |
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| Molecular Mass | 295.0878 |
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| SMILES | CN(C)CCc1ccc(OS(=O)(=O)O)c2ccccc12 |
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| InChI Key | CSVLBGHTHHNPEB-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 | naphthalenes |
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| Subclass | naphthalenes |
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| Direct Parent | naphthalenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | arylsulfateshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenethylaminessulfuric acid monoesterstrialkylamines |
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| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativestertiary aliphatic aminearomatic homopolycyclic compoundphenethylamineorganic oxidenaphthaleneorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfateorganic nitrogen compoundsulfuric acid esteraminetertiary amineorganooxygen compound |
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