| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:15 UTC |
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| Update Date | 2025-03-21 18:06:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00065136 |
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| Frequency | 47.1 |
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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 | Nc1c(O)cccc1C(=O)CCc1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | VCEPYPSSBWRLKP-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-phenylketonesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescinnamylphenolshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenoxy compoundsphenylsulfatesprimary aminessulfuric acid monoestersvinylogous amides |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteraryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidcinnamylphenolretro-dihydrochalconeketonephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfatevinylogous amideorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidphenylketonebutyrophenonearomatic homomonocyclic compoundorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundphenoxy compoundsulfuric acid esteraminealkyl-phenylketoneorganooxygen compoundaryl ketone |
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