| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:54 UTC |
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| Update Date | 2025-03-25 00:53:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201060 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20O8 |
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| Molecular Mass | 352.1158 |
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| SMILES | COc1cc(CC2CCC(=O)O2)ccc1OC1C(=O)OC(CO)C1O |
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| InChI Key | KFKAAQSMKHEHPE-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 | alkyl aryl etherscarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmonosaccharidesorganic oxidesoxacyclic compoundsphenoxy compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundmonosaccharidealkyl aryl ethercarboxylic acid derivativelactonesaccharideorganic oxideprimary alcoholorganoheterocyclic compoundalcoholtetrahydrofuranmethoxybenzenegamma butyrolactoneoxacycleorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
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