| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:43 UTC |
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| Update Date | 2025-03-25 00:50:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180149 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H20O7 |
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| Molecular Mass | 384.1209 |
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| SMILES | COc1cc(C=CC(=O)O)ccc1Oc1cc(O)cc(CC2CCC(=O)O2)c1 |
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| InChI Key | CLVRFDJUQOCXTE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | diphenylethers |
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| Direct Parent | diphenylethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acid esterscarboxylic acidscinnamic acids and derivativesdiarylethersdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | diaryl etherphenol ethercarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativelactonecinnamic acid or derivativesorganic oxideorganoheterocyclic compoundtetrahydrofuran1-hydroxy-4-unsubstituted benzenoidmethoxybenzenegamma butyrolactoneoxacycleorganic oxygen compoundanisolecarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compounddiphenyletherorganooxygen compound |
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