| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:03 UTC |
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| Update Date | 2025-03-25 00:47:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162551 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16O7 |
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| Molecular Mass | 296.0896 |
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| SMILES | O=C(O)CC(O)Oc1cc(O)cc(CC2CCC(=O)O2)c1 |
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| InChI Key | QILFWWPDMMUNKF-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 ethers |
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| Subclass | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactoneshemiacetalshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelactonebeta-hydroxy acidorganic oxidehemiacetalorganoheterocyclic compoundtetrahydrofuranhydroxy acid1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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