| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:42 UTC |
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| Update Date | 2025-03-25 00:51:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189244 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20O4 |
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| Molecular Mass | 276.1362 |
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| SMILES | CC(C)CC(=O)Oc1cccc(CC2CCC(=O)O2)c1 |
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| InChI Key | GNGDCWSPXAPCDF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol esters |
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| Subclass | phenol esters |
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| Direct Parent | phenol esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativesfatty acid estersgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundtetrahydrofurancarboxylic acid derivativegamma butyrolactonelactoneoxacyclefatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterphenol esterdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganoheterocyclic compoundorganooxygen compound |
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