| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:52 UTC |
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| Update Date | 2025-03-21 18:06:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00061918 |
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| Frequency | 50.2 |
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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)Oc1cccc2c(CO)c[nH]c12 |
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| InChI Key | RQSHBJRGVZSTGQ-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 | indole-3-carbinol and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aromatic alcoholsarylsulfatesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessulfuric acid monoesters |
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| Substituents | aromatic alcoholalcoholsulfuric acid monoesterorganic sulfuric acid or derivativesazacycleheteroaromatic compoundorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidindole-3-carbinol or derivativesorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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