| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:50 UTC |
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| Update Date | 2025-03-21 18:30:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081037 |
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| Frequency | 35.8 |
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| Structure | |
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| Chemical Formula | C17H22O8 |
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| Molecular Mass | 354.1315 |
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| SMILES | COc1ccc(CC2CCC(=O)O2)cc1OC1OCC(O)C(O)C1O |
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| InChI Key | PMRGCZNNXDGQMD-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 | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl aryl etherscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundmonosaccharidealkyl aryl ethercarboxylic acid derivativelactonesaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcoholtetrahydrofuranmethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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