| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:36 UTC |
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| Update Date | 2025-03-21 18:29:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00080484 |
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| Frequency | 36.1 |
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| Structure | |
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| Chemical Formula | C9H9NO4S |
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| Molecular Mass | 227.0252 |
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| SMILES | Cn1cc(OS(=O)(=O)O)c2ccccc21 |
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| InChI Key | CDZGGCVGXWICGX-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 | n-alkylindoles |
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| Direct Parent | n-alkylindoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | arylsulfatesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesn-methylpyrrolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssubstituted pyrrolessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestern-methylpyrrolen-alkylindoleorganic sulfuric acid or derivativesazacycleindoleheteroaromatic compoundsubstituted pyrroleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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