| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:31 UTC |
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| Update Date | 2025-03-25 00:53:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202405 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H26NO7+ |
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| Molecular Mass | 356.1704 |
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| SMILES | C[N+](C)(C)C(CCC(=O)O)OC(=O)CC(O)Cc1ccc(O)c(O)c1 |
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| InChI Key | SNZSNZCZYBOQOY-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 | 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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundssecondary alcoholstetraalkylammonium salts |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltalcoholtetraalkylammonium salt1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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