| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:58 UTC |
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| Update Date | 2025-03-25 00:50:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182997 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H10NO6S+ |
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| Molecular Mass | 308.0223 |
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| SMILES | O=S(=O)(O)Oc1ccc2[o+]c(-c3ccc(O)cc3)[nH]c2c1 |
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| InChI Key | DOGOKQMDOOQAIR-UHFFFAOYSA-O |
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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 | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativesbenzoxazolesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsoxazolessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteroxazole1-hydroxy-2-unsubstituted benzenoidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfateorganic cationorganoheterocyclic compoundazoleazacyclebenzoxazoleheteroaromatic compoundoxacycleorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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