| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:10 UTC |
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| Update Date | 2025-03-25 00:59:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235979 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H29NO5 |
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| Molecular Mass | 387.2046 |
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| SMILES | COc1cc(CCC(=O)c2ccc(OCC(O)CNC(C)C)cc2)ccc1O |
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| InChI Key | RXNWABPNXISUIC-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-phenylketonesanisolesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescinnamylphenolsdialkylamineshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolcinnamylphenolretro-dihydrochalconealkyl aryl etherketoneorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic aminesecondary aminemethoxybenzenephenylketonebutyrophenonearomatic homomonocyclic compoundorganic oxygen compoundanisolesecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundalkyl-phenylketoneorganooxygen compoundaminearyl ketone |
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