| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:01 UTC |
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| Update Date | 2025-03-21 18:36:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112793 |
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| Frequency | 23.5 |
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| Structure | |
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| Chemical Formula | C9H7NO5S |
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| Molecular Mass | 241.0045 |
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| SMILES | O=C(O)c1cc2cccc(S(=O)(=O)O)c2[nH]1 |
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| InChI Key | GJHGUMGQVSEBAT-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 | 1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesazacyclic compoundsbenzenoidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidspyrrole 2-carboxylic acidspyrrole carboxylic acids and derivativessulfonyls |
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| Substituents | organosulfonic acid or derivativescarboxylic acidindoleorganosulfonic acidorganosulfur compoundcarboxylic acid derivativeorganic oxidepyrrole-2-carboxylic acidpyrrole-2-carboxylic acid or derivativesaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundindolecarboxylic acid derivative1-sulfo,2-unsubstituted aromatic compoundazacycleheteroaromatic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativespyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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