| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:20 UTC |
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| Update Date | 2025-03-25 00:52:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195085 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11ClO4S |
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| Molecular Mass | 262.0067 |
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| SMILES | CCCS(=O)(=O)c1cc(C(=O)O)ccc1Cl |
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| InChI Key | GRAAUIYZSAQHPQ-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 | halobenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 4-halobenzoic acidsaryl chloridesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundssulfones |
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| Substituents | carboxylic acidorganochloridebenzoylorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganic oxidebenzoic acidbenzenesulfonyl grouparyl chloridechlorobenzenehalobenzoic acid4-halobenzoic acidaryl halide4-halobenzoic acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundhydrocarbon derivativehalobenzeneorganooxygen compoundsulfone |
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