| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:29 UTC |
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| Update Date | 2025-03-21 18:30:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082537 |
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| Frequency | 35.0 |
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| Structure | |
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| Chemical Formula | C15H15NO5S |
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| Molecular Mass | 321.0671 |
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| SMILES | Nc1ccccc1C(=O)CCc1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | CQSWXHKYUFFPAE-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 | alkyl-phenylketonesaryl alkyl ketonesbenzoyl derivativesbutyrophenoneshydrocarbon derivativeslinear 1,3-diarylpropanoidsorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenoxy compoundsphenylsulfatesprimary aminessulfuric acid monoestersvinylogous amides |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteraryl alkyl ketonebenzoylretro-dihydrochalconeketonephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfatevinylogous amideorganic sulfuric acid or derivativesphenylketonebutyrophenonearomatic homomonocyclic compoundorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundphenoxy compoundsulfuric acid esteraminealkyl-phenylketoneorganooxygen compoundaryl ketone |
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