| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:31 UTC |
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| Update Date | 2025-03-25 00:56:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221074 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H10O6S |
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| Molecular Mass | 294.0198 |
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| SMILES | O=C(c1ccccc1)c1c(O)cccc1OS(=O)(=O)O |
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| InChI Key | LQDFUZLBSDKJQP-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 compoundsphenylsulfatessulfuric acid monoestersvinylogous acids |
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| Substituents | diphenylmethanesulfuric acid monoesterbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzophenoneketonephenylsulfateorganic 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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