| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:28 UTC |
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| Update Date | 2025-03-21 18:01:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034840 |
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| Frequency | 102.9 |
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| Structure | |
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| Chemical Formula | C13H20N2O3 |
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| Molecular Mass | 252.1474 |
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| SMILES | CC(C)NCC(O)COc1ccc(C(N)=O)cc1 |
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| InChI Key | GKCXZIYBNFXMHE-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 | benzoic acids and derivatives |
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| Direct Parent | benzamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acids and derivativesbenzoyl derivativescarboxylic acids and derivativesdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundsprimary carboxylic acid amidessecondary alcohols |
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| Substituents | primary carboxylic acid amidephenol etheretheramino acid or derivativesbenzoylalkyl aryl ethercarboxylic acid derivativebenzamideorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic aminesecondary aminecarboxamide grouparomatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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