| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:29 UTC |
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| Update Date | 2025-03-25 00:56:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218664 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H15NO5S |
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| Molecular Mass | 309.0671 |
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| SMILES | Cc1ccc(C=O)n1CCc1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | QZPQWMUPWGOCCK-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 | aryl-aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundssubstituted pyrrolessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteraromatic heteromonocyclic compoundsubstituted pyrrolephenylsulfateorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundaldehydeorganic oxygen compoundpyrrolesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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