| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:37 UTC |
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| Update Date | 2025-03-21 18:03:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042386 |
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| Frequency | 80.7 |
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| Structure | |
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| Chemical Formula | C10H9NO6S |
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| Molecular Mass | 271.0151 |
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| SMILES | O=C(OCOS(=O)(=O)O)c1c[nH]c2ccccc12 |
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| InChI Key | LNWAIAYAVYDNPS-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 compoundsbenzenoidscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivativessulfuric acid monoestersvinylogous amides |
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| Substituents | sulfuric acid monoesterpyrrole-3-carboxylic acid or derivativesindolecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundindolecarboxylic acid derivativevinylogous amideorganic sulfuric acid or derivativesazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterpyrrolesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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