| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:16 UTC |
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| Update Date | 2025-03-21 18:41:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132440 |
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| Frequency | 19.1 |
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| Structure | |
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| Chemical Formula | C9H9NO6S |
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| Molecular Mass | 259.0151 |
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| SMILES | O=S(=O)(O)OC(O)c1c[nH]c2ccc(O)cc12 |
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| InChI Key | JDFIXJRCHXJDDW-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 benzenoidsalkyl sulfatesaromatic alcoholsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrolessulfuric acid monoesters |
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| Substituents | aromatic alcoholsulfuric acid monoesterorganic sulfuric acid or derivativesazacycleindoleheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundalkyl sulfatepyrroleorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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