| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:04 UTC |
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| Update Date | 2025-03-21 18:29:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076725 |
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| Frequency | 38.3 |
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| Structure | |
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| Chemical Formula | C26H33NO4 |
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| Molecular Mass | 423.241 |
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| SMILES | CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(=O)c3ccccc3)CC2)cc1 |
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| InChI Key | GCGKQKVOTHUOSV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsaromatic alcoholsaryl alkyl ketonesazacyclic compoundsbenzoyl derivativescarboxylic acidsgamma-amino ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylbutylaminesphenylpropanespiperidinessecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylcarboxylic acid derivativephenylpropaneorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundalcoholgamma-aminoketoneazacycletertiary aliphatic aminemonocarboxylic acid or derivativessecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundaminealkyl-phenylketone |
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