| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:04 UTC |
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| Update Date | 2025-03-25 00:57:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224611 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8Cl2N2O5S |
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| Molecular Mass | 325.9531 |
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| SMILES | NS(=O)(=O)c1c(Cl)cc(C(=O)NCC(=O)O)cc1Cl |
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| InChI Key | WGNQACJBGYDSJI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | acyl glycines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 3-halobenzoic acids and derivativesalpha amino acidsaminosulfonyl compoundsaryl chloridesbenzenesulfonamidesbenzenesulfonyl compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsdichlorobenzeneshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidessecondary carboxylic acid amides |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupcarboxylic acid3-halobenzoic acid or derivativesorganochloridebenzoylorganosulfur compoundorganohalogen compoundbenzamide1,3-dichlorobenzeneorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzenesulfonyl grouparyl chloridechlorobenzenebenzenesulfonamideaminosulfonyl compoundhippuric acid or derivativesbenzoic acid or derivativeshalobenzoic acid or derivativescarboxamide groupn-acylglycinearyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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