| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:40 UTC |
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| Update Date | 2025-03-21 18:33:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097254 |
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| Frequency | 28.4 |
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| Structure | |
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| Chemical Formula | C8H8ClNO5S |
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| Molecular Mass | 264.9812 |
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| SMILES | COc1cc(Cl)c(S(N)(=O)=O)cc1C(=O)O |
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| InChI Key | LMXUPTBLYNTETM-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 | o-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds4-halobenzoic acidsalkyl aryl ethersaminosulfonyl compoundsanisolesaryl chloridesbenzenesulfonamidesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativeschlorobenzeneshalobenzoic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic nitrogen compoundsorganic oxidesorganochloridesorganosulfonamidesphenoxy compounds |
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| Substituents | phenol etherorganosulfonic acid or derivativesethercarboxylic acidorganochloridebenzoylalkyl aryl etherorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amideorganic oxideo-methoxybenzoic acid or derivatives1-carboxy-2-haloaromatic compoundbenzoic acidbenzenesulfonyl grouparyl chloridechlorobenzenehalobenzoic acidbenzenesulfonamide4-halobenzoic acidaminosulfonyl compoundhalobenzoic acid or derivativesmethoxybenzenearyl halide4-halobenzoic acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesanisolehydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
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