| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:27 UTC |
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| Update Date | 2025-03-25 00:50:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181846 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18O6 |
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| Molecular Mass | 294.1103 |
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| SMILES | O=C(O)C(=O)CCCCCCOC(=O)c1ccccc1O |
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| InChI Key | GWSJNWBVQVYGFI-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 benzenoidsalpha-hydroxy ketonesalpha-keto acids and derivativesbenzoyl derivativescarbocyclic fatty acidscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesorganic oxidessalicylic acid and derivativesvinylogous acids |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidealpha-keto acidhydroxy fatty acid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid esterketo acidcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compoundmedium-chain keto acid |
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