| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:53 UTC |
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| Update Date | 2025-03-21 18:40:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131546 |
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| Frequency | 19.2 |
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| Structure | |
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| Chemical Formula | C17H22O9 |
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| Molecular Mass | 370.1264 |
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| SMILES | COc1ccc(C2CCC(=O)O2)cc1OC1OC(CO)C(O)C(O)C1O |
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| InChI Key | PPWBADKOJMRUHG-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 compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundmonosaccharidealkyl aryl ethercarboxylic acid derivativelactonesaccharideorganic oxideacetaloxaneprimary alcoholorganoheterocyclic compoundalcoholtetrahydrofuranmethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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