| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:23 UTC |
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| Update Date | 2025-03-21 18:00:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00027553 |
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| Frequency | 137.6 |
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| Structure | |
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| Chemical Formula | C12H16O6 |
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| Molecular Mass | 256.0947 |
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| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)OCO |
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| InChI Key | ZKQRYFIFIPMABW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acid esters |
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| Direct Parent | fatty 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 benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid estershemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholphenolhemiacetalhydrocarbon derivativebenzenoidorganooxygen compound |
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