| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:53 UTC |
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| Update Date | 2025-03-25 00:53:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201039 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H24NO6+ |
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| Molecular Mass | 326.1598 |
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| SMILES | COc1cc(CC(OC(=O)CCC(=O)O)[N+](C)(C)C)ccc1O |
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| InChI Key | VHSMUCBEZCCUQQ-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 | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmethoxybenzenesorganic cationsorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundstetraalkylammonium salts |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganic salttetraalkylammonium saltmethoxybenzenearomatic homomonocyclic compoundfatty acid esterorganic oxygen compoundanisolecarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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