| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:43 UTC |
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| Update Date | 2025-03-21 18:36:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112079 |
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| Frequency | 23.7 |
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| Structure | |
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| Chemical Formula | C12H14O6 |
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| Molecular Mass | 254.079 |
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| SMILES | COc1cc(CC(CO)C(=O)C(=O)O)ccc1O |
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| InChI Key | CYSSLXFYAALHHO-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 | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha-hydroxy ketonesalpha-keto acids and derivativesanisolesbeta-hydroxy ketonescarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsprimary alcohols |
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| Substituents | beta-hydroxy ketonephenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheralpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidealpha-keto acidprimary alcoholalcoholmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisoleketo acidhydrocarbon derivativephenoxy compoundorganooxygen compound |
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