| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:43 UTC |
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| Update Date | 2025-03-21 18:05:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056741 |
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| Frequency | 56.1 |
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| Structure | |
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| Chemical Formula | C13H10O7S |
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| Molecular Mass | 310.0147 |
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| SMILES | O=C(c1ccc(OS(=O)(=O)O)cc1)c1ccc(O)cc1O |
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| InChI Key | VGTGWNFEPVDWIW-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 | benzene and substituted derivatives |
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| Subclass | benzophenones |
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| Direct Parent | benzophenones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl ketonesaryl-phenylketonesbenzoyl derivativesdiphenylmethaneshydrocarbon derivativesorganic oxidesorganooxygen compoundsphenoxy compoundsphenylsulfatesresorcinolssulfuric acid monoestersvinylogous acids |
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| Substituents | diphenylmethanesulfuric acid monoesterbenzoyl1-hydroxy-2-unsubstituted benzenoidresorcinolbenzophenoneketonephenylsulfateorganic oxidearylsulfateorganic sulfuric acid or derivativesaryl-phenylketone1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compoundaryl ketone |
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