| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:05 UTC |
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| Update Date | 2025-03-21 17:58:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00017743 |
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| Frequency | 236.1 |
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| Structure | |
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| Chemical Formula | C13H15NO6S |
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| Molecular Mass | 313.062 |
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| SMILES | O=C(CCC(O)Cc1c[nH]c2ccccc12)OS(=O)(=O)O |
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| InChI Key | PKCIHPVIPWYDPX-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 | azacyclic compoundsbenzenoidscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholsulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativesazacycleindoleheteroaromatic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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