| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:28 UTC |
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| Update Date | 2025-03-21 17:57:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00009599 |
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| Frequency | 500.6 |
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| Structure | |
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| Chemical Formula | C12H18N2O3 |
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| Molecular Mass | 238.1317 |
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| SMILES | CNCC(O)COc1ccc(CC(N)=O)cc1 |
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| InChI Key | LGEALNJAJFJHIW-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 | phenylacetamides |
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| Direct Parent | phenylacetamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acids and derivativescarbonyl compoundscarboxylic acids and derivativesdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundsprimary carboxylic acid amidessecondary alcohols |
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| Substituents | primary carboxylic acid amidephenol ethercarbonyl groupetheramino acid or derivativesalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundphenylacetamidealcoholsecondary aliphatic aminesecondary aminecarboxamide grouparomatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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