| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:45 UTC |
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| Update Date | 2025-03-25 00:49:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02173330 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22O5 |
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| Molecular Mass | 294.1467 |
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| SMILES | CCC(COC(=O)CCC(O)Cc1ccccc1)C(=O)O |
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| InChI Key | FKYIMTPYCGVCIJ-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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