| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:14 UTC |
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| Update Date | 2025-03-21 18:39:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125195 |
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| Frequency | 20.5 |
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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)c1c[nH]c2ccc(S(=O)(=O)O)cc12 |
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| InChI Key | ZGUVSFWFQPTKGB-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-carboxy-2-haloaromatic compounds1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidspyrrole carboxylic acidssulfonylsvinylogous amides |
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| Substituents | organosulfonic acid or derivativescarboxylic acidpyrrole-3-carboxylic acid or derivativesindoleorganosulfonic acidorganosulfur compoundcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundindolecarboxylic acid derivativevinylogous amide1-sulfo,2-unsubstituted aromatic compoundazacycleheteroaromatic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativespyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrole-3-carboxylic acidorganooxygen compound |
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