| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:37 UTC |
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| Update Date | 2025-03-21 18:36:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111866 |
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| Frequency | 23.8 |
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| Structure | |
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| Chemical Formula | C16H13NO4S |
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| Molecular Mass | 315.0565 |
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| SMILES | Cc1ccc(S(=O)(=O)OC(=O)c2c[nH]c3ccccc23)cc1 |
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| InChI Key | IETOUOAPXWNRMT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | indoles and derivatives |
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| Subclass | indolecarboxylic acids and derivatives |
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| Direct Parent | indolecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | arylsulfonic acids and derivativesazacyclic compoundsbenzenesulfonate estersbenzenesulfonyl compoundsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivativessulfonylstosyl compoundsvinylogous amidesp-methylbenzenesulfonates |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietybenzenesulfonate estertosyl compoundpyrrole-3-carboxylic acid or derivativesindolebenzenesulfonateorganosulfur compoundcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl groupindolecarboxylic acid derivativevinylogous amideazacycleheteroaromatic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativespyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundp-methylbenzenesulfonatetolueneorganooxygen compound |
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