| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:32 UTC |
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| Update Date | 2025-03-25 00:48:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168225 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21NO3 |
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| Molecular Mass | 275.1521 |
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| SMILES | CC(C)c1ccc(CC(=O)N2CCCC2C(=O)O)cc1 |
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| InChI Key | OAXZBVXJXCPMBZ-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsaromatic monoterpenoidsazacyclic compoundscarbonyl compoundscarboxylic acidscumeneshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylacetamidesphenylpropanesproline and derivativespyrrolidine carboxylic acidstertiary carboxylic acid amides |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidaromatic heteromonocyclic compoundn-acylpyrrolidinep-cymenephenylpropaneorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcumenepyrrolidinephenylacetamideorganoheterocyclic compoundproline or derivativesazacyclen-acyl-alpha-amino acidcarboxamide groupmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaromatic monoterpenoid |
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