| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:34 UTC |
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| Update Date | 2025-03-25 00:46:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157057 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H12O7S |
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| Molecular Mass | 336.0304 |
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| SMILES | O=C1OC(Cc2cccc(O)c2)c2cc(OS(=O)(=O)O)ccc21 |
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| InChI Key | LHKFZZYVSGMGKC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzofurans |
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| Subclass | benzofuranones |
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| Direct Parent | benzofuranones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsarylsulfatesbenzene and substituted derivativescarboxylic acid estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundsphthalidessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterbenzofuranone1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativephthalidelactoneorganic oxideisobenzofuranoneisocoumaranaromatic heteropolycyclic compoundarylsulfateorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersulfate-esterphenolhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
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