| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:53 UTC |
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| Update Date | 2025-03-25 00:47:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159936 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H12O6S |
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| Molecular Mass | 332.0355 |
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| SMILES | O=S(=O)(O)Oc1ccc(-c2ccc3c(O)cc(O)cc3c2)cc1 |
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| InChI Key | OKIROXXQPKRSKX-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 | phenylnaphthalenes |
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| Direct Parent | phenylnaphthalenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidshydrocarbon derivativesnaphthols and derivativesorganic oxidesorganooxygen compoundsphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compound1-hydroxy-4-unsubstituted benzenoidphenylsulfateorganic oxideorganic oxygen compoundphenylnaphthalenesulfate-esterhydrocarbon derivative1-naphtholarylsulfatephenoxy compoundsulfuric acid ester2-naphtholorganooxygen compound |
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