| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:26 UTC |
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| Update Date | 2025-03-21 18:35:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104070 |
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| Frequency | 26.1 |
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| Structure | |
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| Chemical Formula | C17H20O10 |
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| Molecular Mass | 384.1056 |
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| SMILES | COc1cc(CC(=O)C(=O)OC2CC(O)(C(=O)O)CC(O)C2O)ccc1O |
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| InChI Key | XGXVQPYDHZIJBE-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 benzenoidsalkyl aryl ethersalpha hydroxy acids and derivativesalpha-keto acids and derivativesanisolescarboxylic acid esterscarboxylic acidscyclohexanolsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesketonesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundsphenylpyruvic acid derivativestertiary alcohols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeketoneorganic oxidealpha-keto acidphenylpyruvatecyclohexanolhydroxy acidmethoxybenzenearomatic homomonocyclic compoundfatty acid estertertiary alcoholanisoleketo acidcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundquinic acid |
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