| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:13 UTC |
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| Update Date | 2025-03-21 18:07:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00069854 |
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| Frequency | 43.2 |
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| Structure | |
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| Chemical Formula | C9H7NO6S |
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| Molecular Mass | 256.9994 |
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| SMILES | O=C(OS(=O)(=O)O)c1c[nH]c2cccc(O)c12 |
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| InChI Key | GKHGPEMJPFWMKD-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsbenzenoidsheteroaromatic 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 derivativesindole1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundindolecarboxylic acid derivativevinylogous amideorganic sulfuric acid or derivativesazacycleheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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