| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:16 UTC |
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| Update Date | 2025-03-21 18:00:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00027266 |
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| Frequency | 139.4 |
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| Structure | |
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| Chemical Formula | C13H19NO5S |
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| Molecular Mass | 301.0984 |
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| SMILES | CCCN(CCC)S(=O)(=O)c1ccc(O)c(C(=O)O)c1 |
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| InChI Key | SOGYGACBKXRJKX-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 compounds1-hydroxy-2-unsubstituted benzenoidsaminosulfonyl compoundsbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen 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 acidbenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundbenzoic acid or derivativeshydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativessulfonylorganic oxygen compoundsalicylic acid or derivativesorganic sulfonic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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