| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:32 UTC |
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| Update Date | 2025-03-21 18:04:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051734 |
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| Frequency | 63.1 |
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| Structure | |
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| Chemical Formula | C19H22O4 |
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| Molecular Mass | 314.1518 |
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| SMILES | O=C(CCC(O)Cc1ccccc1)OCOCc1ccccc1 |
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| InChI Key | OYOPODRMSGEXJT-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 | acetalsbenzene and substituted derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalcarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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