| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:49 UTC |
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| Update Date | 2025-03-21 18:30:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083321 |
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| Frequency | 34.5 |
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| Structure | |
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| Chemical Formula | C10H9NO4S |
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| Molecular Mass | 239.0252 |
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| SMILES | Nc1cccc2c(OS(=O)(=O)O)cccc12 |
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| InChI Key | BGIHEDYOBHFBGN-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 | naphthalenes |
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| Direct Parent | naphthalenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | arylsulfateshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesaromatic homopolycyclic compoundorganic oxidenaphthaleneorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfateprimary amineorganic nitrogen compoundsulfuric acid esteramineorganooxygen compound |
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