| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:39 UTC |
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| Update Date | 2025-03-25 00:53:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200474 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H14O5 |
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| Molecular Mass | 262.0841 |
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| SMILES | COc1ccc(C=CC(=O)OC2COC(=O)C2)cc1 |
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| InChI Key | ABZPFOKSWUDHNA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | cinnamic acids and derivatives |
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| Subclass | cinnamic acids and derivatives |
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| Direct Parent | cinnamic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolescarbonyl compoundsdicarboxylic acids and derivativesenoate estersfatty acid estersgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundalkyl aryl ethercarboxylic acid derivativelactonealpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxideorganoheterocyclic compoundenoate estertetrahydrofuranmethoxybenzenegamma butyrolactoneoxacyclefatty acid esterorganic oxygen compoundanisolecarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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