| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:58 UTC |
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| Update Date | 2025-03-21 18:02:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036051 |
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| Frequency | 98.4 |
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| Structure | |
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| Chemical Formula | C9H7NO5S |
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| Molecular Mass | 241.0045 |
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| SMILES | O=Cc1c[nH]c2ccc(OS(=O)(=O)O)cc12 |
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| InChI Key | IIYFQHSNNKBQPV-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 | aryl-aldehydesarylsulfatesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrolessulfuric acid monoestersvinylogous amides |
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| Substituents | sulfuric acid monoesterindoleorganic oxidearyl-aldehydearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfateindolecarboxylic acid derivativevinylogous amideorganic sulfuric acid or derivativesazacycleheteroaromatic compoundaldehydeorganic oxygen compoundpyrrolesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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