| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:17 UTC |
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| Update Date | 2025-03-25 00:57:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227236 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H23NO5 |
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| Molecular Mass | 309.1576 |
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| SMILES | CC(C)NCC(O)COc1ccc(CC(=O)CC(=O)O)cc1 |
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| InChI Key | OZVKTPVYYAJDIM-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 | phenol ethers |
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| Subclass | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acidsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary alcohols |
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| Substituents | beta-hydroxy ketonephenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidamino acid or derivativesamino acidalkyl aryl ethercarboxylic acid derivativebeta-keto acidketoneorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic aminesecondary aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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