| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:36 UTC |
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| Update Date | 2025-03-21 18:00:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030386 |
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| Frequency | 122.4 |
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| Structure | |
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| Chemical Formula | C13H16O5 |
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| Molecular Mass | 252.0998 |
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| SMILES | O=C(O)COC(=O)CCC(O)Cc1ccccc1 |
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| InChI Key | LVPIPILSSPZGEG-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 | benzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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