| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:34 UTC |
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| Update Date | 2025-03-25 00:54:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209472 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H25NO3 |
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| Molecular Mass | 303.1834 |
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| SMILES | CC1=C(C(=O)C=CCN2CCCC2C(=O)O)C(C)(C)CC=C1 |
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| InChI Key | LCEJKWRFFCWRDV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | proline and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsalpha,beta-unsaturated ketonesamino acidsazacyclic compoundscarboxylic acidshydrocarbon derivativesketonesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundspyrrolidine carboxylic acidstrialkylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acidalpha,beta-unsaturated ketoneketoneorganic oxidepyrrolidine carboxylic acidaliphatic heteromonocyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundproline or derivativesazacyclen-alkylpyrrolidinetertiary aliphatic aminemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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