| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:38 UTC |
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| Update Date | 2025-03-21 17:59:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00018969 |
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| Frequency | 217.2 |
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| Structure | |
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| Chemical Formula | C9H13NO5S |
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| Molecular Mass | 247.0514 |
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| SMILES | COS(=O)(=O)Oc1cc(CCN)ccc1O |
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| InChI Key | UMBXMEACJFLABT-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 | arylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl sulfateshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundssulfuric acid diesters |
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| Substituents | monocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundsulfuric acid diesteralkyl sulfateorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativearylsulfatebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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