| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:09 UTC |
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| Update Date | 2025-03-21 18:05:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055398 |
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| Frequency | 57.8 |
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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)c1cc(O)ccc1O |
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| InChI Key | LAKJQSPNQZTCHU-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 benzenoidsamino acids and derivativesbenzoyl derivativescarboxylic acid estershydrocarbon derivativeshydroquinonesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundssalicylic acid and derivativestrialkylaminesvinylogous acidso-hydroxybenzoic acid esters |
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| Substituents | amino acid or derivativesbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundm-hydroxybenzoic acid estertertiary aminetertiary aliphatic aminehydroquinonearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid esterphenolhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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