| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:44 UTC |
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| Update Date | 2025-03-21 18:35:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107243 |
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| Frequency | 25.1 |
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| Structure | |
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| Chemical Formula | C11H14N2O4S |
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| Molecular Mass | 270.0674 |
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| SMILES | CN(C)Cc1c[nH]c2ccc(OS(=O)(=O)O)cc12 |
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| InChI Key | DKVPBQQPOKGVRJ-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 heteropolycyclic compounds |
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| Alternative Parents | aralkylaminesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganooxygen compoundsorganopnictogen compoundspyrrolessulfuric acid monoesterstrialkylamines |
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| Substituents | sulfuric acid monoesterindolearalkylamineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfatetertiary amineorganoheterocyclic compoundazacycleheteroaromatic compoundtertiary aliphatic amineindole or derivativesorganic oxygen compoundpyrrolesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esteramineorganooxygen compound |
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