| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:59 UTC |
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| Update Date | 2025-03-21 18:02:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036117 |
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| Frequency | 98.2 |
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| Structure | |
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| Chemical Formula | C10H9NO4S |
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| Molecular Mass | 239.0252 |
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| SMILES | CS(=O)(=O)OC(=O)c1c[nH]c2ccccc12 |
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| InChI Key | CQLGIWKIDGXUGZ-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 | azacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesmethanesulfonatesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acids and derivativespyrrole carboxylic acids and derivativessulfonylsvinylogous amides |
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| Substituents | organosulfonic acid or derivativespyrrole-3-carboxylic acid or derivativesindoleorganosulfur compoundcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundindolecarboxylic acid derivativevinylogous amideazacycleheteroaromatic compoundmethanesulfonatemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativespyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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