| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:51 UTC |
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| Update Date | 2025-03-25 01:00:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02244412 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18O3 |
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| Molecular Mass | 222.1256 |
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| SMILES | CCCC(O)(C(=O)OCC)c1ccccc1 |
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| InChI Key | QYLZLMSHWCTVNA-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 | aromatic alcoholsbenzene and substituted derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid estertertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganooxygen compound |
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