| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:27 UTC |
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| Update Date | 2025-03-21 18:03:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041986 |
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| Frequency | 81.6 |
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| Structure | |
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| Chemical Formula | C9H9NO5S |
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| Molecular Mass | 243.0201 |
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| SMILES | O=S(=O)(O)OCOc1c[nH]c2ccccc12 |
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| InChI Key | DUTPEWCNZNXPDJ-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 sulfatesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrolessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesazacycleindoleheteroaromatic compoundorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundalkyl sulfatepyrroleorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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