| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:04 UTC |
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| Update Date | 2025-03-25 00:57:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224607 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H15NO6S |
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| Molecular Mass | 337.062 |
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| SMILES | NS(=O)(=O)Oc1ccc(CCC(=O)c2ccc(O)cc2O)cc1 |
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| InChI Key | YYDMJNOFSZFLID-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | linear 1,3-diarylpropanoids |
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| Subclass | chalcones and dihydrochalcones |
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| Direct Parent | 2'-hydroxy-dihydrochalcones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl-phenylketonesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescinnamylphenolshydrocarbon derivativesorganic nitrogen compoundsorganic oxidesorganic sulfuric acids and derivativesorganooxygen compoundsphenoxy compoundsresorcinolsvinylogous acids |
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| Substituents | monocyclic benzene moiety2'-hydroxy-dihydrochalconearyl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidcinnamylphenolresorcinolketoneorganic oxideorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidphenylketonebutyrophenonearomatic homomonocyclic compoundvinylogous acidorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundalkyl-phenylketoneorganooxygen compoundaryl ketone |
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