| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:38 UTC |
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| Update Date | 2025-03-21 18:41:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133263 |
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| Frequency | 18.9 |
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| Structure | |
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| Chemical Formula | C12H8O4S |
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| Molecular Mass | 248.0143 |
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| SMILES | O=S(=O)(O)Oc1ccc2c3c(cccc13)C=C2 |
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| InChI Key | ZEVXSPMVQYDGKA-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 | acenaphthylenes |
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| Subclass | acenaphthylenes |
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| Direct Parent | acenaphthylenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | arylsulfateshydrocarbon derivativesnaphthalenesorganic oxidesorganooxygen compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesaromatic homopolycyclic compoundacenaphthyleneorganic oxidenaphthaleneorganic oxygen compoundsulfate-esterhydrocarbon derivativearylsulfatesulfuric acid esterorganooxygen compound |
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