| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:58 UTC |
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| Update Date | 2025-03-25 00:53:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201228 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O5 |
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| Molecular Mass | 238.0841 |
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| SMILES | COc1ccc(C(=O)COC(C)=O)cc1OC |
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| InChI Key | NMBWGGWAZXDSNQ-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-acyloxy ketonesanisolesaryl alkyl ketonesbenzoyl derivativescarboxylic acid estersdimethoxybenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonealpha-acyloxy ketonebenzoylalkyl aryl ethercarboxylic acid derivativedimethoxybenzeneorganic oxideo-dimethoxybenzenemethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesanisolecarboxylic acid esterhydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketone |
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