| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:35 UTC |
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| Update Date | 2025-03-25 00:50:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182127 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9NO8S |
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| Molecular Mass | 303.0049 |
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| SMILES | O=C(O)CC(=Nc1ccccc1OS(=O)(=O)O)C(=O)O |
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| InChI Key | GVZKKUPCGMKAPT-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 homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compoundssecondary ketiminessulfuric acid monoesters |
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| Substituents | ketiminemonocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidiminecarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundphenylsulfatesecondary ketimineorganic oxideorganonitrogen compoundorganopnictogen compoundorganic 1,3-dipolar compoundaromatic homomonocyclic compoundorganic oxygen compounddicarboxylic acid or derivativessulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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