| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:25 UTC |
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| Update Date | 2025-03-21 18:28:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00075114 |
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| Frequency | 39.4 |
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| Structure | |
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| Chemical Formula | C8H7NO6S |
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| Molecular Mass | 244.9994 |
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| SMILES | NS(=O)(=O)c1ccc(C(=O)O)c(C(=O)O)c1 |
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| InChI Key | WHJAVRZKKYXINE-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 | 1-carboxy-2-haloaromatic compoundsaminosulfonyl compoundsbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativesdicarboxylic acids and derivativeshydrocarbon derivativesorganic nitrogen compoundsorganic oxidesorganooxygen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativesbenzenesulfonamidecarboxylic acidaminosulfonyl compoundbenzoylbenzoic acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amidearomatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivative1-carboxy-2-haloaromatic compoundorganic nitrogen compoundbenzoic acidorganooxygen compoundbenzenesulfonyl group |
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