| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:01 UTC |
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| Update Date | 2025-03-25 00:45:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151166 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO5S |
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| Molecular Mass | 243.0201 |
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| SMILES | Cn1ccc2ccc(O)c(OS(=O)(=O)O)c21 |
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| InChI Key | JERJJQDMFROAHV-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 | 1-hydroxy-2-unsubstituted benzenoidsarylsulfatesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesn-methylpyrrolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssubstituted pyrrolessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestern-methylpyrrolen-alkylindoleindole1-hydroxy-2-unsubstituted benzenoidsubstituted pyrroleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfateorganic sulfuric acid or derivativesazacycleheteroaromatic compoundorganic oxygen compoundpyrrolesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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