| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:11 UTC |
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| Update Date | 2025-03-21 18:32:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00091203 |
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| Frequency | 30.8 |
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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(O)CC(O)c1c[nH]c2ccc(OS(=O)(=O)O)cc12 |
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| InChI Key | ANSBVKFDGILMIU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | arylsulfates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aromatic alcoholsazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcoholssulfuric acid monoesters |
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| Substituents | aromatic alcoholsulfuric acid monoestercarbonyl groupcarboxylic acidindolecarboxylic acid derivativebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfateorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundindole or derivativeshydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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