| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:10 UTC |
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| Update Date | 2025-03-21 18:38:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120370 |
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| Frequency | 21.6 |
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| Structure | |
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| Chemical Formula | C11H10O5 |
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| Molecular Mass | 222.0528 |
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| SMILES | O=C1CCC(C(=O)c2ccc(O)c(O)c2)O1 |
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| InChI Key | QHSOYKNSRGLCTL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha-acyloxy ketonesaryl alkyl ketonesbenzoyl derivativescarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonealpha-acyloxy ketonearomatic heteromonocyclic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelactoneorganic oxideorganoheterocyclic compoundtetrahydrofuran1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclemonocarboxylic acid or derivativescarboxylic acid esterphenolhydrocarbon derivativebenzenoidalkyl-phenylketone |
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