| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:42 UTC |
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| Update Date | 2025-03-21 18:00:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00025947 |
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| Frequency | 148.1 |
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| Structure | |
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| Chemical Formula | C13H19NO4S |
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| Molecular Mass | 285.1035 |
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| SMILES | CCCN(CCC)S(=O)(=O)c1ccccc1C(=O)O |
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| InChI Key | OOAFLQVYVWVEFX-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 derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativescarboxylic acidbenzoylorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidbenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundbenzoic acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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