| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:40 UTC |
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| Update Date | 2025-03-25 00:54:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205076 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H12O4S |
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| Molecular Mass | 300.0456 |
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| SMILES | O=S(=O)(O)Oc1ccc(-c2ccc3ccccc3c2)cc1 |
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| InChI Key | LVOZWXLMPXWIEJ-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 | hydrocarbon derivativesorganic oxidesorganooxygen compoundsphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivativesaromatic homopolycyclic compoundphenylsulfateorganic oxideorganic oxygen compoundphenylnaphthalenesulfate-esterhydrocarbon derivativearylsulfatephenoxy compoundsulfuric acid esterorganooxygen compound |
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