| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:30 UTC |
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| Update Date | 2025-03-21 18:32:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00091992 |
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| Frequency | 30.5 |
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| Structure | |
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| Chemical Formula | C11H11NO7S |
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| Molecular Mass | 301.0256 |
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| SMILES | O=C(CC(O)c1c[nH]c2ccc(O)cc12)OS(=O)(=O)O |
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| InChI Key | OMQBUCOMRJZAPH-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 | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaromatic alcoholsazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcoholssulfuric acid monoesters |
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| Substituents | aromatic alcoholsulfuric acid monoestercarbonyl groupindole1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalcoholorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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