| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:17 UTC |
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| Update Date | 2025-03-25 00:46:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154173 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O6 |
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| Molecular Mass | 254.079 |
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| SMILES | COc1cc(OC)cc(C(=O)CC(O)C(=O)O)c1 |
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| InChI Key | DWCUPLBOAABBJH-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 homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha hydroxy acids and derivativesanisolesaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbutyrophenonescarboxylic acidsdimethoxybenzenesgamma-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssecondary alcohols |
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| Substituents | beta-hydroxy ketonephenol ethermonocyclic benzene moietyethercarboxylic acidaryl alkyl ketonealpha-hydroxy acidbenzoylalkyl aryl ethercarboxylic acid derivativedimethoxybenzeneorganic oxidealcoholhydroxy acidmethoxybenzenegamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesm-dimethoxybenzeneanisoleketo acidsecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketone |
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