| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:15 UTC |
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| Update Date | 2025-03-21 17:58:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00015937 |
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| Frequency | 270.4 |
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| Structure | |
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| Chemical Formula | C13H19NO4 |
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| Molecular Mass | 253.1314 |
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| SMILES | CCN(CC)CCOC(=O)c1ccc(O)c(O)c1 |
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| InChI Key | LLLCAAYKDZHGMM-UHFFFAOYSA-N |
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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-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 benzenoidsamino acids and derivativesbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundstrialkylaminesp-hydroxybenzoic acid alkyl esters |
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| Substituents | amino acid or derivativesp-hydroxybenzoic acid esterbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundm-hydroxybenzoic acid estertertiary aminetertiary aliphatic amine1-hydroxy-4-unsubstituted benzenoidp-hydroxybenzoic acid alkyl esteraromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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