| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:53 UTC |
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| Update Date | 2025-03-21 18:40:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131560 |
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| Frequency | 19.2 |
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| Structure | |
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| Chemical Formula | C8H9NO5S |
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| Molecular Mass | 231.0201 |
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| SMILES | CS(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 |
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| InChI Key | BLKPCFNDGFDHEM-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 | sulfanilides |
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| Direct Parent | sulfanilides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsaminosulfonyl compoundsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic sulfonamidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamidessalicylic acidsvinylogous acids |
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| Substituents | organosulfonic acid or derivativescarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidaminosulfonyl compoundbenzoic acid or derivativeshydroxybenzoic acidaromatic homomonocyclic compoundsulfanilidevinylogous acidmonocarboxylic acid or derivativessulfonylorganic oxygen compoundsalicylic acid or derivativesorganic sulfonic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compound |
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