| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:41 UTC |
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| Update Date | 2025-03-25 00:46:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157318 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H7NO6S |
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| Molecular Mass | 280.9994 |
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| SMILES | O=C1Nc2c(OS(=O)(=O)O)ccc3c(O)ccc1c23 |
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| InChI Key | LTEZYCAERMLUIQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | naphthalenes |
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| Subclass | naphthols and derivatives |
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| Direct Parent | naphthols and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsarylsulfatesazacyclic compoundscarboxylic acids and derivativeshydrocarbon derivativesindolesisoindolesisoindoloneslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterlactamindole1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeisoindoloneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfateorganoheterocyclic compoundorganic sulfuric acid or derivativesazacycleisoindoleindole or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundisoindole or derivativessulfate-esterhydrocarbon derivative1-naphtholorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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