| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:40 UTC |
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| Update Date | 2025-03-25 00:54:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205063 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H13NO6S |
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| Molecular Mass | 323.0464 |
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| SMILES | O=S(=O)(O)Oc1ccc2c(n1)OCC(c1ccc(O)cc1)C2 |
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| InChI Key | NZAJXTPSTIIFKV-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 | pyranopyridines |
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| Subclass | pyranopyridines |
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| Direct Parent | pyranopyridines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids2-halopyridinesalkyl aryl ethersarylsulfatesazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteretherpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfate2-halopyridineorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridineoxacyclepyridineorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterpyranopyridineorganooxygen compound |
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