| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:29 UTC |
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| Update Date | 2025-03-25 00:59:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234410 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H20NO3+ |
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| Molecular Mass | 250.1438 |
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| SMILES | C[N+]1(C)C(C(=O)O)CC(O)C1Cc1ccccc1 |
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| InChI Key | CVXRCPRDGHGLTO-UHFFFAOYSA-O |
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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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-aminoalcoholsalpha amino acidsaminesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundspyrrolidine carboxylic acidssecondary alcoholstetraalkylammonium salts |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganic oxidepyrrolidine carboxylic acidalpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltpyrrolidineorganoheterocyclic compoundproline or derivativesalcoholtetraalkylammonium saltazacyclen-alkylpyrrolidine1,2-aminoalcoholquaternary ammonium saltmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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