| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:55 UTC |
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| Update Date | 2025-03-21 18:28:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00071550 |
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| Frequency | 41.9 |
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| Structure | |
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| Chemical Formula | C13H20NO4+ |
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| Molecular Mass | 254.1387 |
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| SMILES | COc1cc(C(=O)OCC[N+](C)(C)C)ccc1O |
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| InChI Key | GVIWAZHWMOYRAZ-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 | m-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersaminesanisolesbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphenoxy compoundstetraalkylammonium saltsp-hydroxybenzoic acid alkyl esters |
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| Substituents | phenol etheretherp-hydroxybenzoic acid esterbenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolbenzoate esteralkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationm-methoxybenzoic acid or derivativesorganic salttetraalkylammonium saltquaternary ammonium saltmethoxybenzenep-hydroxybenzoic acid alkyl esteraromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterphenolhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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