| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:51 UTC |
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| Update Date | 2025-03-21 18:35:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107566 |
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| Frequency | 25.0 |
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| Structure | |
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| Chemical Formula | C18H27NO4 |
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| Molecular Mass | 321.194 |
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| SMILES | CCN(CC)CCOC(=O)c1ccccc1C(=O)OCC(C)C |
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| InChI Key | SHXTYYPBGYPFNT-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 estersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundstrialkylamines |
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| Substituents | amino acid or derivativestertiary aliphatic aminebenzoylbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundaminetertiary amineorganooxygen compound |
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