| 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 00:59:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235997 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H15NO3 |
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| Molecular Mass | 269.1052 |
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| SMILES | COc1ccc(C2CC(=O)Oc3ccc(N)cc32)cc1 |
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| InChI Key | HFLUEAGOFNVOGI-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 | neoflavonoids |
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| Subclass | neoflavans |
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| Direct Parent | neoflavans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans3,4-dihydrocoumarinsalkyl aryl ethersamino acids and derivativesanisolescarbonyl compoundscarboxylic acid estershydrocarbon derivativeslactonesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenoxy compoundsprimary amines |
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| Substituents | neoflavanphenol ethermonocyclic benzene moietycarbonyl groupether1-benzopyranamino acid or derivativesalkyl aryl ethercarboxylic acid derivativelactoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundchromaneorganoheterocyclic compoundbenzopyran3,4-dihydrocoumarinmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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