| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:28 UTC |
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| Update Date | 2025-03-25 00:55:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211686 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H26N2O4 |
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| Molecular Mass | 322.1893 |
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| SMILES | CC(=O)NCCC(=O)c1cccc(OCC(O)CNC(C)C)c1 |
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| InChI Key | CPBQNLZFRHFFLH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesalkyl aryl ethersamino acids and derivativesaryl alkyl ketonesbenzoyl derivativescarboxylic acids and derivativesdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketoneamino acid or derivativesbenzoylalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidealcoholsecondary aliphatic aminesecondary aminecarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundalkyl-phenylketoneamine |
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