| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:22 UTC |
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| Update Date | 2025-03-25 00:53:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202085 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O4 |
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| Molecular Mass | 220.0736 |
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| SMILES | COc1ccccc1C(=O)C1CCC(=O)O1 |
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| InChI Key | XWYAAZWZVDRVGW-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 | alkyl aryl ethersalpha-acyloxy ketonesanisolesaryl alkyl ketonesbenzoyl derivativescarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonealpha-acyloxy ketonearomatic heteromonocyclic compoundbenzoylalkyl aryl ethercarboxylic acid derivativelactoneorganic oxideorganoheterocyclic compoundtetrahydrofuranmethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesanisolecarboxylic acid esterhydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketone |
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