| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:40 UTC |
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| Update Date | 2025-03-21 18:30:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082977 |
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| Frequency | 34.7 |
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| Structure | |
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| Chemical Formula | C9H11NO5S |
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| Molecular Mass | 245.0358 |
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| SMILES | COc1ccc(CC(=O)O)cc1S(N)(=O)=O |
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| InChI Key | JPOOLMXBBWXALG-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 | benzenesulfonamides |
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| Direct Parent | benzenesulfonamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaminosulfonyl compoundsanisolesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic nitrogen compoundsorganic oxidesorganosulfonamidesphenoxy compounds |
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| Substituents | phenol etherorganosulfonic acid or derivativescarbonyl groupethercarboxylic acidalkyl aryl etherorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxidebenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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