| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:22 UTC |
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| Update Date | 2025-03-25 01:00:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240936 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H21NO6 |
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| Molecular Mass | 311.1369 |
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| SMILES | CC(C)(CO)C(O)C(=O)NCCOC(=O)c1ccccc1O |
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| InChI Key | HCCSKXZSSZCRDU-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 | 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 benzenoidsbenzoyl derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssalicylic acid and derivativessecondary alcoholssecondary carboxylic acid amidesvinylogous acids |
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| Substituents | fatty acylcarbonyl groupfatty amidebenzoyl1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundalcohol1-hydroxy-4-unsubstituted benzenoidcarboxamide groupn-acyl-aminearomatic homomonocyclic compoundsecondary carboxylic acid amidevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid estersecondary alcoholphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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