| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:57 UTC |
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| Update Date | 2025-03-25 00:52:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194226 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H27N2O4+ |
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| Molecular Mass | 335.1965 |
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| SMILES | CN(C)c1ccc(C=CC(=O)OC(CC(=O)O)C[N+](C)(C)C)cc1 |
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| InChI Key | WCPGSFUTJBQRGH-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acid esters |
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| Direct Parent | acyl carnitines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acidsaniline and substituted anilinescarbonyl compoundscarboxylic acidscinnamic acids and derivativesdialkylarylaminesdicarboxylic acids and derivativesenoate estershydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativealpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxidetertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compoundorganic cationdialkylarylamineorganic salttertiary amineenoate estertetraalkylammonium saltaniline or substituted anilinesquaternary ammonium saltaromatic homomonocyclic compoundacyl-carnitineorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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