| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:43 UTC |
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| Update Date | 2025-03-25 00:59:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237206 |
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| Frequency | 0.5 |
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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(O)C(Cc1c[nH]c2c(O)cccc12)OS(=O)(=O)O |
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| InChI Key | JENBGFZYINBZKB-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidindole1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundorganic sulfuric acid or derivativesazacycleheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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