| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:44 UTC |
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| Update Date | 2025-03-21 18:28:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073534 |
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| Frequency | 40.5 |
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| Structure | |
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| Chemical Formula | C9H8N2O4S |
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| Molecular Mass | 240.0205 |
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| SMILES | NS(=O)(=O)c1ccc2[nH]cc(C(=O)O)c2c1 |
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| InChI Key | HEAGJDXJIOUDBK-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 compoundsaminosulfonyl compoundsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamidespyrrole carboxylic acidsvinylogous amides |
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| Substituents | organosulfonic acid or derivativescarboxylic acidpyrrole-3-carboxylic acid or derivativesindoleorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundindolecarboxylic acid derivativevinylogous amideazacycleaminosulfonyl compoundheteroaromatic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativespyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrole-3-carboxylic acidorganooxygen compound |
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