| 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 00:50:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183135 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H13NO5S |
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| Molecular Mass | 307.0514 |
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| SMILES | O=S(=O)(O)Oc1cccc2c1CC(c1ccc(O)cc1)N2 |
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| InChI Key | VUQPCSGWCYMEAM-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 benzenoidsazacyclic compoundsbenzene and substituted derivativeshydrocarbon derivativesindolesindolinesorganic oxidesorganooxygen compoundsorganopnictogen compoundssecondary alkylarylaminessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterindole1-hydroxy-2-unsubstituted benzenoidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfatedihydroindoleorganoheterocyclic compoundazacycleindole or derivativessecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esteramineorganooxygen compound |
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