| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:52 UTC |
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| Update Date | 2025-03-21 18:36:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110024 |
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| Frequency | 24.3 |
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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 | COc1cc(C(=O)O)ccc1NS(C)(=O)=O |
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| InChI Key | ZUZLMCSNBSNXJF-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 | m-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaminosulfonyl compoundsanisolesbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganic sulfonamidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesphenoxy compoundssulfanilides |
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| Substituents | phenol etherorganosulfonic acid or derivativesethercarboxylic acidbenzoylalkyl aryl etherorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidm-methoxybenzoic acid or derivativesaminosulfonyl compoundmethoxybenzenearomatic homomonocyclic compoundsulfanilidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganic sulfonic acid amideorganooxygen compound |
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