| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:39 UTC |
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| Update Date | 2025-03-21 18:33:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097213 |
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| Frequency | 28.4 |
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| Structure | |
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| Chemical Formula | C9H11NO4S |
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| Molecular Mass | 229.0409 |
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| SMILES | CCOC(=O)c1ccc(S(N)(=O)=O)cc1 |
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| InChI Key | DFTXGSKTFDBVQM-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aminosulfonyl compoundsbenzenesulfonamidesbenzenesulfonyl compoundsbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic nitrogen compoundsorganic oxidesorganooxygen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativesbenzenesulfonamideaminosulfonyl compoundbenzoylbenzoate esterorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativescarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundbenzenesulfonyl group |
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