| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:52 UTC |
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| Update Date | 2025-03-21 18:03:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042997 |
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| Frequency | 79.2 |
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| Structure | |
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| Chemical Formula | C19H24O11 |
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| Molecular Mass | 428.1319 |
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| SMILES | COc1cc(CC2CCC(=O)O2)ccc1OC1C(O)OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | IJLRKKBQAGJRGL-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 ethersbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactoneshemiacetalshydrocarbon derivativesmethoxybenzenesorganic oxidesoxacyclic compoundsoxepanesphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundalkyl aryl ethercarboxylic acid derivativelactonebeta-hydroxy acidorganic oxidehemiacetalorganoheterocyclic compoundalcoholtetrahydrofuranhydroxy acidmethoxybenzenegamma butyrolactoneoxepaneoxacycleorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
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