| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:40 UTC |
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| Update Date | 2025-03-21 17:58:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00016828 |
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| Frequency | 252.8 |
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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 | Cc1c[nH]c2ccc(OS(=O)(=O)O)cc12 |
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| InChI Key | FILBRGOYHQEPAD-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 | indoles |
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| Direct Parent | 3-methylindoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | arylsulfatesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrolessulfuric acid monoesters |
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| Substituents | 3-methylindolesulfuric acid monoesterorganic sulfuric acid or derivativesazacycleheteroaromatic compoundorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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