| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:02 UTC |
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| Update Date | 2025-03-25 00:50:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183146 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H5NO6S |
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| Molecular Mass | 230.9838 |
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| SMILES | O=S(=O)(O)Oc1nc2c(O)cccc2o1 |
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| InChI Key | MAOBHCYMFWGXLV-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsbenzenoidsbenzoxazolesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsoxazolessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterazacyclebenzoxazoleheteroaromatic compoundoxazole1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidorganic nitrogen compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compoundazole |
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