| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:59 UTC |
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| Update Date | 2025-03-25 00:52:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194296 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17NO4S |
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| Molecular Mass | 271.0878 |
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| SMILES | CN1CCC(Cc2cccc(OS(=O)(=O)O)c2)C1 |
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| InChI Key | QJMMSDKGNHYSHR-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 compoundshydrocarbon derivativesn-alkylpyrrolidinesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenoxy compoundssulfuric acid monoesterstrialkylamines |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteraromatic heteromonocyclic compoundphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundazacyclen-alkylpyrrolidinetertiary aliphatic amineorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esteramineorganooxygen compound |
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