| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:36 UTC |
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| Update Date | 2025-03-21 18:04:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049586 |
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| Frequency | 66.5 |
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| Structure | |
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| Chemical Formula | C15H21NO5 |
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| Molecular Mass | 295.142 |
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| SMILES | CC(C)NCC(O)COc1ccc(CC(=O)C(=O)O)cc1 |
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| InChI Key | GLKNXEHUUKWOEA-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 | phenylpyruvic acid derivatives |
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| Direct Parent | phenylpyruvic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha-hydroxy ketonesalpha-keto acids and derivativesamino acidscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpropanoic acidssecondary alcohols |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acid3-phenylpropanoic-acidamino acid or derivativesamino acidalkyl aryl etheralpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundalcoholsecondary aliphatic aminephenylpyruvatesecondary aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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