| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:53 UTC |
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| Update Date | 2025-03-25 00:56:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219570 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H20O9 |
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| Molecular Mass | 344.1107 |
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| SMILES | COc1ccc(C(O)OC2C(O)CC(O)(C(=O)O)CC2O)c(O)c1 |
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| InChI Key | JJKTXCNWXAYGHY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | quinic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersalpha hydroxy acids and derivativesanisolesaromatic alcoholsbenzyletherscarbonyl compoundscarboxylic acidscyclohexanolshemiacetalshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundstertiary alcohols |
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| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidbenzyletheralpha-hydroxy acidmethoxyphenol1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxidehemiacetalcyclohexanolhydroxy acid1-hydroxy-4-unsubstituted benzenoidmethoxybenzenearomatic homomonocyclic compoundtertiary alcoholmonocarboxylic acid or derivativesanisolesecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundquinic acid |
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