| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:44 UTC |
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| Update Date | 2025-03-25 00:49:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177956 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13NO7S |
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| Molecular Mass | 291.0413 |
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| SMILES | COc1cc(C(=O)NS(=O)(=O)O)cc(OC)c1OC |
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| InChI Key | NUBQGCBCDDIVCT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesorganic sulfuric acids and derivativesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | phenol etheretherorganic sulfuric acid or derivativesbenzoylbenzoic acid or derivativesalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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