| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:33 UTC |
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| Update Date | 2025-03-25 00:56:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218808 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16O4 |
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| Molecular Mass | 248.1049 |
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| SMILES | COC(=O)C(Cc1ccccc1)C1CCC(=O)O1 |
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| InChI Key | FRGQUAMDTKWXGR-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 heteromonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarbonyl compoundsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesmethyl estersorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundtetrahydrofurancarboxylic acid derivativegamma butyrolactonelactoneoxacyclefatty acid esterorganic oxidemethyl esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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