| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:48 UTC |
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| Update Date | 2025-03-25 00:50:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180329 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17N2O6S+ |
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| Molecular Mass | 305.0802 |
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| SMILES | C[N+](C)(C)CCOS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1 |
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| InChI Key | HERBQFZSVTXLCM-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 | alkyl sulfatesamineshydrocarbon derivativesnitroaromatic compoundsnitrobenzenesorganic cationsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganic saltsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundssulfuric acid diesterstetraalkylammonium salts |
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| Substituents | monocyclic benzene moietyorganic nitro compoundorganic oxidesulfuric acid diesterc-nitro compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundarylsulfateorganic cationorganic oxoazaniumorganic saltnitrobenzenenitroaromatic compoundtetraalkylammonium saltquaternary ammonium saltaromatic homomonocyclic compoundorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esteramineorganooxygen compoundorganic hyponitrite |
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