| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:38 UTC |
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| Update Date | 2025-03-25 00:56:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216662 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO5S |
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| Molecular Mass | 299.0827 |
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| SMILES | CCC1CC(Cc2cccc(OS(=O)(=O)O)c2)N=C1O |
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| InChI Key | STYXWLLMHZYPKI-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 heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscyclic carboximidic acidshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compoundspyrrolinessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteraromatic heteromonocyclic compoundazacycleorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundphenylsulfateorganic oxidepyrrolineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid estercyclic carboximidic acidorganoheterocyclic compoundorganooxygen compound |
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