| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:20 UTC |
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| Update Date | 2025-03-21 18:35:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106257 |
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| Frequency | 25.4 |
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| Structure | |
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| Chemical Formula | C14H14O6 |
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| Molecular Mass | 278.079 |
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| SMILES | O=C(O)CC(=O)Oc1cccc(CC2CCC(=O)O2)c1 |
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| InChI Key | VGOGBLSJYIHMJV-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 esterscarboxylic acidsgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundtetrahydrofurantricarboxylic acid or derivativescarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esterphenol esterhydrocarbon derivativephenoxy compoundorganoheterocyclic compoundorganooxygen compound |
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