| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:00 UTC |
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| Update Date | 2025-03-25 00:59:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235658 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO7S |
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| Molecular Mass | 315.0413 |
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| SMILES | COc1ccc2c(CC(OS(=O)(=O)O)C(=O)O)c[nH]c2c1 |
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| InChI Key | MGFXZRSJPFMJHB-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 | alkyl aryl ethersalkyl sulfatesanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoestercarbonyl groupethercarboxylic acidindolealkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundorganic sulfuric acid or derivativesazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolepyrrolesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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