| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:43 UTC |
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| Update Date | 2025-03-21 18:38:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121701 |
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| Frequency | 21.3 |
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| Structure | |
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| Chemical Formula | C21H35NO3 |
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| Molecular Mass | 349.2617 |
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| SMILES | CCN(CC)CCOC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 |
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| InChI Key | NHBVCHMEDVOFTD-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 | p-hydroxybenzoic acid alkyl esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acids and derivativesbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenolsphenylpropanestrialkylamines |
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| Substituents | amino acid or derivativesbenzoylcarboxylic acid derivativephenylpropaneorganic oxideorganonitrogen compoundorganopnictogen compoundtertiary aminetertiary aliphatic aminep-hydroxybenzoic acid alkyl esteraromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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