| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:35 UTC |
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| Update Date | 2025-03-25 00:56:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218873 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H18O6 |
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| Molecular Mass | 342.1103 |
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| SMILES | COc1ccc(C=CC(=O)OCC(=O)c2ccccc2O)cc1OC |
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| InChI Key | AHQXOENPJXJLRA-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersalpha-acyloxy ketonesanisolesaryl alkyl ketonesbenzoyl derivativescinnamic acids and derivativesdimethoxybenzenesenoate estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsvinylogous acids |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietyetheraryl alkyl ketonealpha-acyloxy ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativedimethoxybenzenealpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxideo-dimethoxybenzeneenoate ester1-hydroxy-4-unsubstituted benzenoidmethoxybenzenearomatic homomonocyclic compoundfatty acid estervinylogous acidmonocarboxylic acid or derivativesanisolecarboxylic acid esterphenolhydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketone |
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