| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:50 UTC |
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| Update Date | 2025-03-25 00:50:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180438 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20NO3+ |
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| Molecular Mass | 238.1438 |
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| SMILES | C[N+](C)(C)COC(=O)CC(O)c1ccccc1 |
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| InChI Key | MDRMAIDQRNSYDB-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 | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aromatic alcoholsbenzene and substituted derivativescarbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundssecondary alcoholstetraalkylammonium salts |
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| Substituents | aromatic alcoholfatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid derivativebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltalcoholtetraalkylammonium saltaromatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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