| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:01 UTC |
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| Update Date | 2025-03-21 18:33:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098139 |
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| Frequency | 28.1 |
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| Structure | |
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| Chemical Formula | C8H5NO5S |
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| Molecular Mass | 226.9888 |
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| SMILES | O=C1Nc2c(cccc2S(=O)(=O)O)C1=O |
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| InChI Key | JHTFLZKXHUHLIP-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 | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsaryl ketonesarylsulfonic acids and derivativesazacyclic compoundsbenzenoidscarboxylic acids and derivativeshydrocarbon derivativesindolineslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssecondary carboxylic acid amidessulfonylsvinylogous amides |
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| Substituents | organosulfonic acid or derivativescarbonyl grouplactamindoleorganosulfonic acidorganosulfur compoundcarboxylic acid derivativeketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compounddihydroindolevinylogous amide1-sulfo,2-unsubstituted aromatic compoundazacyclecarboxamide groupsecondary carboxylic acid amidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaryl ketone |
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