| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:58 UTC |
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| Update Date | 2025-03-25 00:56:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219772 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H22NO5+ |
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| Molecular Mass | 296.1492 |
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| SMILES | C[N+](C)(C)CCOC(=O)CCOC(=O)c1ccccc1O |
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| InChI Key | NMJGKPZPALCDPH-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | o-hydroxybenzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacyl cholinesaminesbenzoyl derivativescarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssalicylic acid and derivativestetraalkylammonium saltsvinylogous acids |
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| Substituents | carbonyl groupbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganic salttetraalkylammonium saltquaternary ammonium salt1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid esteracyl cholinedicarboxylic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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