| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:12 UTC |
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| Update Date | 2025-03-21 18:32:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088874 |
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| Frequency | 31.9 |
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| Structure | |
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| Chemical Formula | C10H9NO5S |
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| Molecular Mass | 255.0201 |
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| SMILES | COS(=O)(=O)OC(=O)c1c[nH]c2ccccc12 |
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| InChI Key | NDNDYKVCBRTINW-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 | alkyl sulfatesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivativessulfuric acid diestersvinylogous amides |
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| Substituents | pyrrole-3-carboxylic acid or derivativesindolecarboxylic acid derivativeorganic oxidesulfuric acid diesteraromatic heteropolycyclic compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundindolecarboxylic acid derivativevinylogous amideorganic sulfuric acid or derivativesazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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