| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:45 UTC |
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| Update Date | 2025-03-25 00:56:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216924 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO3 |
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| Molecular Mass | 235.1208 |
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| SMILES | CN(C)CCCC(=O)C(=O)c1cccc(O)c1 |
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| InChI Key | VNJPEQSHECZYKE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | butyrophenones |
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| Direct Parent | butyrophenones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha-diketonesaryl ketonesbenzoyl derivativesgamma-amino ketoneshydrocarbon derivativesorganic oxidesorganopnictogen compoundstrialkylamines |
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| Substituents | carbonyl groupgamma-aminoketonetertiary aliphatic aminebenzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalpha-diketoneketonebutyrophenonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeorganic nitrogen compoundaminetertiary amineorganooxygen compoundaryl ketone |
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