| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:00 UTC |
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| Update Date | 2025-03-25 00:46:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155845 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H20NO5+ |
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| Molecular Mass | 282.1336 |
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| SMILES | C[N+](C)(C)C(CC(=O)O)CC(=O)Oc1ccc(O)cc1 |
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| InChI Key | RQJHQWZMMADDLY-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol esters |
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| Subclass | phenol esters |
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| Direct Parent | phenol esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaminescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphenoxy compoundstetraalkylammonium salts |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganic salttetraalkylammonium saltquaternary ammonium saltaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundcarboxylic acid esterphenol esterdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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