| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:29 UTC |
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| Update Date | 2025-03-25 00:59:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236668 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11NO5S |
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| Molecular Mass | 269.0358 |
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| SMILES | CS(=O)(=O)c1ccc2c(c1)N=C(O)C2CC(=O)O |
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| InChI Key | BTJKOQULSJVKMD-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 | indoles |
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| Direct Parent | 3-alkylindoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidscyclic carboximidic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfones |
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| Substituents | carbonyl groupcarboxylic acid3-alkylindoleorganosulfur compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundazacycleorganic 1,3-dipolar compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcyclic carboximidic acidorganooxygen compoundsulfone |
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