| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:12 UTC |
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| Update Date | 2025-03-21 18:04:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048603 |
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| Frequency | 68.1 |
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| Structure | |
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| Chemical Formula | C15H21NO3 |
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| Molecular Mass | 263.1521 |
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| SMILES | CCC(CCC(C)=O)COC(=O)c1ccc(N)cc1 |
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| InChI Key | GBXBGTVVNFOANH-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 | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acids and derivativesbenzoyl derivativescarboxylic acid estershydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary amines |
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| Substituents | carbonyl groupamino acid or derivativesbenzoylbenzoate estercarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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