| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:00 UTC |
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| Update Date | 2025-03-25 00:49:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176207 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18O4 |
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| Molecular Mass | 250.1205 |
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| SMILES | CC(CC(=O)O)OC(=O)CCCc1ccccc1 |
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| InChI Key | DWRGPHTVNOMWIT-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 oxides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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