| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:05 UTC |
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| Update Date | 2025-03-21 17:57:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00006303 |
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| Frequency | 822.0 |
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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(O)c1cc2cccc(OS(=O)(=O)O)c2[nH]1 |
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| InChI Key | HVBSTVBPQVKIOV-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 | arylsulfatesazacyclic compoundsbenzenoidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole 2-carboxylic acidspyrrole carboxylic acids and derivativessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarboxylic acidindolecarboxylic acid derivativeorganic oxidepyrrole-2-carboxylic acidpyrrole-2-carboxylic acid or derivativesaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfateindolecarboxylic acid derivativeorganic sulfuric acid or derivativesazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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