| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:25 UTC |
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| Update Date | 2025-03-21 18:04:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00053708 |
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| Frequency | 60.2 |
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| Structure | |
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| Chemical Formula | C10H11NO5S |
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| Molecular Mass | 257.0358 |
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| SMILES | O=S(=O)(O)Oc1ccc2c(CCO)c[nH]c2c1 |
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| InChI Key | KGAWUSSRMPQACT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | arylsulfates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alcohols and polyolsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessulfuric acid monoesters |
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| Substituents | alcoholsulfuric acid monoesterazacycleindoleheteroaromatic compoundindole or derivativesorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidorganic nitrogen compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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