| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:27 UTC |
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| Update Date | 2025-03-25 00:49:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177260 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16O8S |
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| Molecular Mass | 368.0566 |
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| SMILES | COS(=O)(=O)Oc1cc(O)cc(C(=O)CCc2ccc(O)c(O)c2)c1 |
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| InChI Key | XKIQKZVHAPVBDS-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 | retro-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 sulfatesalkyl-phenylketonesaryl alkyl ketonesarylsulfatesbenzoyl derivativesbutyrophenonescinnamylphenolshydrocarbon derivativesorganic oxidesorganooxygen compoundsphenoxy compoundssulfuric acid diesters |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidcinnamylphenolretro-dihydrochalconeketoneorganic oxidesulfuric acid diesteralkyl sulfatearylsulfateorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidphenylketonebutyrophenonearomatic homomonocyclic compoundorganic oxygen compoundphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esteralkyl-phenylketoneorganooxygen compoundaryl ketone |
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