| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:34 UTC |
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| Update Date | 2025-03-25 00:50:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179781 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H17NO5 |
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| Molecular Mass | 315.1107 |
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| SMILES | COc1ccc(NC=O)c(C(O)CC(=O)c2ccc(O)cc2)c1 |
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| InChI Key | JAYHVDSRPIIZDW-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 benzenoidsalkyl aryl ethersalkyl-phenylketonesanilidesanisolesaromatic alcoholsaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbutyrophenonescarboxylic acids and derivativescinnamylphenolshydrocarbon derivativesmethoxybenzenesn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | aromatic alcoholbeta-hydroxy ketonephenol ethermonocyclic benzene moietycarbonyl groupetheraryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidn-arylamidecinnamylphenolretro-dihydrochalconealkyl aryl ethercarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholcarboxamide groupmethoxybenzenephenylketonebutyrophenonearomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundanisolesecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundalkyl-phenylketoneorganooxygen compoundaryl ketone |
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