| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:06 UTC |
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| Update Date | 2025-03-25 00:57:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222414 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H10O5S |
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| Molecular Mass | 266.0249 |
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| SMILES | O=CCc1cccc2ccc(OS(=O)(=O)O)cc12 |
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| InChI Key | PEIJKVJOTMMKBP-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 | alpha-hydrogen aldehydesarylsulfateshydrocarbon derivativesorganic oxidesphenylacetaldehydessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativesaldehydearomatic homopolycyclic compoundorganic oxidenaphthaleneorganic oxygen compoundalpha-hydrogen aldehydesulfate-esterhydrocarbon derivativearylsulfatesulfuric acid esterorganooxygen compoundphenylacetaldehyde |
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