| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:33 UTC |
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| Update Date | 2025-03-21 18:34:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099389 |
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| Frequency | 27.6 |
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| Structure | |
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| Chemical Formula | C8H9NO4S |
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| Molecular Mass | 215.0252 |
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| SMILES | COC(=O)c1ccc(S(N)(=O)=O)cc1 |
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| InChI Key | XLOVNJUCAFIANM-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 derivativeshydrocarbon derivativesmethyl estersmonocarboxylic 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 derivativessulfonylmethyl esterorganic oxygen compoundorganic sulfonic acid or derivativescarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundbenzenesulfonyl group |
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