| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:05 UTC |
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| Update Date | 2025-03-25 00:58:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233480 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H7NO6S |
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| Molecular Mass | 256.9994 |
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| SMILES | Nc1coc2c(OS(=O)(=O)O)cccc2c1=O |
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| InChI Key | ITEGQRNYIJUBEX-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 | benzopyrans |
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| Subclass | 1-benzopyrans |
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| Direct Parent | chromones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | arylsulfatesbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsprimary aminespyranones and derivativessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterorganic oxidechromonearomatic heteropolycyclic compoundorganonitrogen compoundpyranoneorganopnictogen compoundarylsulfateorganic sulfuric acid or derivativesheteroaromatic compoundoxacycleorganic oxygen compoundpyransulfate-esterhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundsulfuric acid esteramineorganooxygen compound |
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